pdb_id base_status quality_status combined_status base_failed_rules experimental_method resolution r_factor component_key formula molecular_weight protein_buried_fraction primary_metric qualifier normalized_value_nM completeness_status nonstandard_status clash_status multiple_site_status 3IX2 pass pass pass X-RAY DIFFRACTION 2.1 0.18256 AC2 C8 H11 N5 O3 225.208 0.98230744 Ki = 150.0 pass pass pass pass 5SB8 pass pass pass X-RAY DIFFRACTION 2.3 0.1932 5IS C28 H35 Cl N2 O7 547.045 0.50804607 Kd = 830.0 pass pass pass pass 5SB9 pass pass pass X-RAY DIFFRACTION 2.5 0.1942 5IX C36 H43 Cl N2 O9 683.195 0.48371296 Kd = 51.0 pass pass pass pass 5SBA pass pass pass X-RAY DIFFRACTION 2.25 0.1839 5IJ C30 H39 Cl N2 O9 607.097 0.53529045 Kd = 11.0 pass pass pass pass 5SBB pass pass pass X-RAY DIFFRACTION 2.25 0.1833 5JH C35 H49 Cl N2 O9 677.232 0.50159597 Kd = 20.0 pass pass pass pass 5SBC pass pass pass X-RAY DIFFRACTION 2.32 0.1857 5JS C36 H41 Cl N2 O8 665.18 0.48818722 Kd = 1090.0 pass pass pass pass 5SBD pass pass pass X-RAY DIFFRACTION 2.25 0.179 5KI C30 H37 Cl N2 O8 589.082 0.53269778 Kd = 860.0 pass pass pass pass 5UMB pass pass pass X-RAY DIFFRACTION 2.3 0.227 ADP C10 H15 N5 O10 P2 427.203 0.92212304 Kd = 16200.0 pass pass pass pass 6LD0 pass pass pass X-RAY DIFFRACTION 1.901 0.2009 E8X C12 H23 N O4 245.319 0.94262184 Ki = 860.0 pass pass pass pass 6LDB pass pass pass X-RAY DIFFRACTION 1.651 0.1556 SJ5 C6 H11 N O4 161.157 0.97218134 Ki = 7.4 pass pass pass pass 6LDC pass pass pass X-RAY DIFFRACTION 2.181 0.1499 E9O C15 H29 N O4 287.4 0.84858939 Ki = 440.0 pass pass pass pass 6LDD pass pass pass X-RAY DIFFRACTION 2.205 0.1531 CKX C9 H17 N O4 203.238 0.933414 Ki = 4900.0 pass pass pass pass 6LEL pass pass pass X-RAY DIFFRACTION 2.498 0.2379 E8X C12 H23 N O4 245.319 0.88577222 Ki = 3.0 pass pass pass pass 6LRM pass pass pass X-RAY DIFFRACTION 1.45 0.1813 EQC C21 H24 O6 372.417 0.83211596 Kd = 6275.0 pass pass pass pass 6LTK pass pass pass X-RAY DIFFRACTION 2.141 0.1913 E0G C23 H27 F3 N4 O3 464.488 0.8877553 Kd = 14.1 pass pass pass pass 6PZ0 pass pass pass X-RAY DIFFRACTION 1.8 0.1494 TYR C9 H11 N O3 181.191 0.92193644 Kd = 450.0 pass pass pass pass 6Q1L pass pass pass X-RAY DIFFRACTION 1.6 0.1705 IYR C9 H10 I N O3 307.087 0.90919832 Kd = 50.0 pass pass pass pass 6TE7 pass pass pass X-RAY DIFFRACTION 1.50001818022 0.164570437032 N55 C18 H15 Cl N2 O 310.781 0.81833482 Kd = 8300.0 pass pass pass pass 6TET pass pass pass X-RAY DIFFRACTION 1.49986889071 0.175862182841 N5Z C18 H15 F N2 278.33 0.79257742 Kd = 5900.0 pass pass pass pass 6TEV pass pass pass X-RAY DIFFRACTION 1.70001263917 0.17052265459 N5W C17 H13 F3 N2 302.299 0.82919305 Kd = 5600.0 pass pass pass pass 6VBA pass pass pass X-RAY DIFFRACTION 1.8 0.1792 QU4 C22 H14 O9 422.345 0.75538171 Kd = 679.0 pass pass pass pass 6W4C pass pass pass X-RAY DIFFRACTION 1.75 0.1613 SL7 C19 H18 N6 O4 394.391 0.93287553 Kd = 160.0 pass pass pass pass 6WKA pass pass pass X-RAY DIFFRACTION 1.34 0.1267 U4V C19 H23 N7 O6 S 477.496 0.68480945 Ki = 32.9 pass pass pass pass 6WNK pass pass pass X-RAY DIFFRACTION 2.28 0.1996 U5Y C39 H39 F N4 O5 662.762 0.79729683 Ki = 12.1 pass pass pass pass 6X7Z pass pass pass X-RAY DIFFRACTION 1.0 0.1248 INS C6 H12 O6 180.156 0.63503165 Kd = 2700000.0 pass pass pass pass 6X8D pass pass pass X-RAY DIFFRACTION 1.0 0.1461 ARA C5 H10 O5 150.13 0.63745508 Kd = 2200000.0 pass pass pass pass 6X8Y pass pass pass X-RAY DIFFRACTION 1.0 0.1545 RIP C5 H10 O5 150.13 0.67423813 Kd = 6800000.0 pass pass pass pass 6X95 pass pass pass X-RAY DIFFRACTION 1.1 0.1563 Z61 C6 H12 O5 164.157 0.62037137 Kd = 1400000.0 pass pass pass pass 6X9M pass pass pass X-RAY DIFFRACTION 1.0 0.1421 3MG C7 H14 O6 194.183 0.56864547 Kd = 5700000.0 pass pass pass pass 6XAC pass pass pass X-RAY DIFFRACTION 1.22 0.1341 GAL C6 H12 O6 180.156 0.58725197 Kd = 4099999.9999999995 pass pass pass pass 6XAQ pass pass pass X-RAY DIFFRACTION 1.2 0.1627 GYP C7 H14 O6 194.183 0.57888166 Kd = 2100000.0 pass pass pass pass 6XB9 pass pass pass X-RAY DIFFRACTION 2.25 0.1956 3OH C3 H6 O3 90.078 0.99920071 Ki = 280000.0 pass pass pass pass 6XF3 pass pass pass X-RAY DIFFRACTION 2.38 0.2084 V5V C24 H26 F2 N10 O8 P2 S2 746.598 0.9853964 Kd = 40.0 pass pass pass pass 6XNC pass pass pass X-RAY DIFFRACTION 2.11 0.1625 TRP C11 H12 N2 O2 204.229 0.98931122 Ki = 42000.0 pass pass pass pass 6Y6S pass pass pass X-RAY DIFFRACTION 2.1 0.1634 ODW C8 H15 N O4 189.211 0.95363034 Ki = 7000.0 pass pass pass pass 6Y6T pass pass pass X-RAY DIFFRACTION 2.25 0.1589 ODW C8 H15 N O4 189.211 0.95219166 Ki = 7000.0 pass pass pass pass 6YE0 pass pass pass X-RAY DIFFRACTION 1.63 0.1722 PUT C4 H12 N2 88.154 0.99181975 Kd = 68.0 pass pass pass pass 6YE7 pass pass pass X-RAY DIFFRACTION 1.6 0.1679 N2P C5 H14 N2 102.181 0.99329656 Kd = 1950.0 pass pass pass pass 6YE8 pass pass pass X-RAY DIFFRACTION 1.5 0.1618 SPD C7 H19 N3 145.25 0.99421973 Kd = 29710.0 pass pass pass pass 6YH6 pass pass pass X-RAY DIFFRACTION 1.4 0.1388 OQW C14 H19 F3 N2 O2 S 336.372 0.88695728 Kd = 4000.0 pass pass pass pass 6YH8 pass pass pass X-RAY DIFFRACTION 1.2 0.1356 OQT C16 H13 F3 N2 O2 S 354.346 0.83006994 Kd = 12500.0 pass pass pass pass 6YH9 pass pass pass X-RAY DIFFRACTION 1.55 0.166 WWX C22 H21 F3 N2 O6 S2 530.532 0.84516636 Kd = 46.0 pass pass pass pass 6YHC pass pass pass X-RAY DIFFRACTION 1.28 0.1304 WWO C15 H15 F3 N2 O5 S2 424.408 0.8310049 Kd = 40.0 pass pass pass pass 6YK1 pass pass pass X-RAY DIFFRACTION 2.4 0.2089 D95 C19 H28 O8 384.425 0.7979321 Ki = 1000.0 pass pass pass pass 6YPW pass pass pass X-RAY DIFFRACTION 1.1 0.1143 P75 C19 H22 N6 O7 S 478.48 0.6284455 Ki = 1.3 pass pass pass pass 6YRI pass pass pass X-RAY DIFFRACTION 1.6 0.159 DHC C9 H8 O4 180.159 0.71418783 Ki = 1610.0 pass pass pass pass 6YUH pass pass pass X-RAY DIFFRACTION 1.93 0.1861 POW C22 H27 N3 O4 397.475 0.62560211 Kd = 84000.0 pass pass pass pass 6YUR pass pass pass X-RAY DIFFRACTION 1.96 0.22972 F9T C23 H25 N O4 379.456 0.88884281 Ki = 46.0 pass pass pass pass 6YUU pass pass pass X-RAY DIFFRACTION 2.01 0.13726 F9T C23 H25 N O4 379.456 0.87170106 Ki = 90.0 pass pass pass pass 6YVI pass pass pass X-RAY DIFFRACTION 2.26 0.182 PV5 C21 H16 F N7 O 401.405 0.8387782 Kd = 15.0 pass pass pass pass 6Z64 pass pass pass X-RAY DIFFRACTION 1.89 0.205 Q9K C26 H34 N12 O7 626.635 0.58920286 Ki = 5600.0 pass pass pass pass 6Z65 pass pass pass X-RAY DIFFRACTION 1.97 0.2023 Q9N C27 H34 N12 O8 654.645 0.55397653 Ki = 23800.0 pass pass pass pass 6Z81 pass pass pass X-RAY DIFFRACTION 2.31 0.182 QCB C16 H23 N6 O10 P 490.366 0.91805522 Kd = 3400.0 pass pass pass pass 6ZFZ pass pass pass X-RAY DIFFRACTION 2.17 0.214 QJT C21 H32 N2 O 328.5 0.9699871 Kd = 3.7 pass pass pass pass 6ZHL pass pass pass X-RAY DIFFRACTION 1.94 0.2139 G4P C10 H17 N5 O17 P4 603.16 0.58909624 Kd = 2200.0 pass pass pass pass 6ZHM pass pass pass X-RAY DIFFRACTION 2.15 0.24 GDP C10 H15 N5 O11 P2 443.202 0.69239587 Kd = 1800.0 pass pass pass pass 6ZYN pass pass pass X-RAY DIFFRACTION 1.40001375561 0.149734464045 QT2 C10 H17 N O4 S2 279.369 0.87846829 Ki = 750.0 pass pass pass pass 6ZYO pass pass pass X-RAY DIFFRACTION 1.45 0.1242 QST C10 H17 N O4 S2 279.369 0.89808703 Ki = 1900.0 pass pass pass pass 6ZYP pass pass pass X-RAY DIFFRACTION 1.4 0.1635 QT2 C10 H17 N O4 S2 279.369 0.7725027 Ki = 440.0 pass pass pass pass 6ZYQ pass pass pass X-RAY DIFFRACTION 1.7 0.1775 QST C10 H17 N O4 S2 279.369 0.75751337 Ki = 600.0 pass pass pass pass 6ZYR pass pass pass X-RAY DIFFRACTION 1.87 0.183 QT2 C10 H17 N O4 S2 279.369 0.84511293 Ki = 460.0 pass pass pass pass 6ZYS pass pass pass X-RAY DIFFRACTION 1.8700095823 0.174089105023 QST C10 H17 N O4 S2 279.369 0.82733661 Ki = 2000.0 pass pass pass pass 7A4R pass pass pass X-RAY DIFFRACTION 1.8 0.1621 QY8 C6 H6 N4 O 150.141 0.8324912 Ki = 1500.0 pass pass pass pass 7A4Z pass pass pass X-RAY DIFFRACTION 1.9 0.1728 6SD C10 H11 N3 O 189.218 0.92645033 Ki = 6100.0 pass pass pass pass 7A51 pass pass pass X-RAY DIFFRACTION 1.9 0.1743 QYK C8 H6 Br N5 252.075 0.85737552 Ki = 6400.0 pass pass pass pass 7A52 pass pass pass X-RAY DIFFRACTION 2.1 0.1653 QYB C11 H8 N4 O 212.212 0.9007742 Ki = 2300.0 pass pass pass pass 7A53 pass pass pass X-RAY DIFFRACTION 2.2 0.218 QYZ C14 H11 N O2 225.247 0.89267947 Ki = 1500.0 pass pass pass pass 7A5D pass pass pass X-RAY DIFFRACTION 1.8 0.1673 QYW C13 H10 N6 250.265 0.88983044 Ki = 32.0 pass pass pass pass 7A5N pass pass pass X-RAY DIFFRACTION 2.3 0.2187 R05 C19 H16 F2 N6 366.375 0.90455156 Kd = 0.24 pass pass pass pass 7A6T pass pass pass X-RAY DIFFRACTION 1.66 0.1706 SPD C7 H19 N3 145.25 0.93709019 Kd = 40960.0 pass pass pass pass 7A6V pass pass pass X-RAY DIFFRACTION 2.0 0.209 R2W C16 H19 N3 O3 S2 365.466 0.69659799 Ki = 8.0 pass pass pass pass 7AGN pass pass pass X-RAY DIFFRACTION 1.15 0.1474 RAK C9 H10 F4 N2 O2 S2 318.303 0.82893398 Kd = 110.0 pass pass pass pass 7AMA pass pass pass X-RAY DIFFRACTION 2.48 0.21037 RMK C27 H34 N6 O2 474.609 0.87441826 Kd = 32.0 pass pass pass pass 7APU pass pass pass X-RAY DIFFRACTION 1.36 0.1843 ADP C10 H15 N5 O10 P2 427.203 0.95667179 Kd = 9000.0 pass pass pass pass 7AS3 pass pass pass X-RAY DIFFRACTION 1.65 0.1683 21G C20 H19 F2 N5 O2 399.401 0.7643508 Kd = 290.0 pass pass pass pass 7ASJ pass pass pass X-RAY DIFFRACTION 1.43 0.1487 RWH C16 H19 N3 O3 S 333.406 0.73890529 Ki = 489.5 pass pass pass pass 7AU4 pass pass pass X-RAY DIFFRACTION 1.82 0.1749 RY5 C15 H12 Cl N3 O3 317.729 0.82033564 Kd = 61000.0 pass pass pass pass 7AVI pass pass pass X-RAY DIFFRACTION 1.93 0.2098 S2Q C18 H20 N4 O4 S 388.442 0.72012022 Kd = 937.0 pass pass pass pass 7AVL pass pass pass X-RAY DIFFRACTION 1.718 0.2498 S2Z C19 H21 N3 O2 323.396 0.77622328 Kd = 469.0 pass pass pass pass 7AVS pass pass pass X-RAY DIFFRACTION 2.28 0.2059 S3Q C20 H20 F3 N3 O2 391.393 0.80517564 Kd = 104.0 pass pass pass pass 7AVT pass pass pass X-RAY DIFFRACTION 1.88 0.2008 S3T C19 H22 N4 O2 338.411 0.78392594 Kd = 123.0 pass pass pass pass 7AVU pass pass pass X-RAY DIFFRACTION 2.1 0.2235 S3Z C20 H21 F3 N4 O2 406.408 0.81667613 Kd = 16.0 pass pass pass pass 7AVV pass pass pass X-RAY DIFFRACTION 2.12 0.1988 S2W C18 H17 F3 N4 346.356 0.77000879 Kd = 350.0 pass pass pass pass 7B0T pass pass pass X-RAY DIFFRACTION 2.05 0.218 GKT C21 H23 I N4 O 474.346 0.63985836 Kd = 4700.0 pass pass pass pass 7B0V pass pass pass X-RAY DIFFRACTION 2.3 0.1679 SKB C16 H11 F3 O 276.257 0.96454001 Ki = 5.0 pass pass pass pass 7B0Z pass pass pass X-RAY DIFFRACTION 2.1 0.1614 SK5 C16 H11 F3 O 276.257 0.95386328 Ki = 14.6 pass pass pass pass 7B10 pass pass pass X-RAY DIFFRACTION 1.92 0.1739 GKT C21 H23 I N4 O 474.346 0.61665517 Kd = 4800.0 pass pass pass pass 7B2J pass pass pass X-RAY DIFFRACTION 1.55 0.1615 SQ2 C14 H18 N4 O 258.325 0.86608396 Kd = 7200.0 pass pass pass pass 7B2U pass pass pass X-RAY DIFFRACTION 1.55 0.2083 SQ5 C15 H18 F N3 O2 291.326 0.86560254 Kd = 23000.0 pass pass pass pass 7B5Z pass pass pass X-RAY DIFFRACTION 1.65 0.1554 SYH C14 H16 N4 O 256.309 0.87765286 Kd = 39000.0 pass pass pass pass 7B63 pass pass pass X-RAY DIFFRACTION 1.6 0.1669 SYW C22 H22 N4 O5 S 454.501 0.84286658 Ki = 10.2 pass pass pass pass 7B77 pass pass pass X-RAY DIFFRACTION 1.6 0.1686 T0W C15 H16 N4 O2 284.319 0.84728007 Kd = 79000.0 pass pass pass pass 7BF6 pass pass pass X-RAY DIFFRACTION 2.15 0.1803 U08 C12 H13 N5 O4 291.267 0.83554685 Kd = 10800.0 pass pass pass pass 7BHH pass pass pass X-RAY DIFFRACTION 1.4 0.1504 TN8 C15 H16 I N3 O2 S Se 508.247 0.635406 Ki = 57.6 pass pass pass pass 7BHR pass pass pass X-RAY DIFFRACTION 1.08 0.167 TQE C7 H12 N4 O2 184.199 0.55066347 Kd = 250000.0 pass pass pass pass 7BHT pass pass pass X-RAY DIFFRACTION 1.052 0.156 TO8 C10 H10 Cl N3 O 223.66 0.52969692 Kd = 4900.0 pass pass pass pass 7BJ8 pass pass pass X-RAY DIFFRACTION 1.69 0.1626 QST C10 H17 N O4 S2 279.369 0.69266511 Ki = 4000.0 pass pass pass pass 7BJ9 pass pass pass X-RAY DIFFRACTION 1.21000590023 0.13597287523 TWW C8 H13 N O4 S2 251.315 0.80238287 Ki = 160.0 pass pass pass pass 7BLA pass pass pass X-RAY DIFFRACTION 1.086 0.1395 WCS C22 H30 N6 O3 S 458.581 0.59630594 Kd = 108000.0 pass pass pass pass 7BLB pass pass pass X-RAY DIFFRACTION 2.3 0.1996 9ST C17 H21 Br N4 O 377.286 0.61273205 Kd = 165000.0 pass pass pass pass 7BM4 pass pass pass X-RAY DIFFRACTION 1.6 0.1657 U3N C13 H12 F N3 O2 S Se 372.287 0.73415371 Ki = 76.8 pass pass pass pass 7CCT pass pass pass X-RAY DIFFRACTION 2.35 0.2309 FWC C29 H43 N8 O17 P3 S 900.684 0.75433166 Kd = 2.04 pass pass pass pass 7CJG pass pass pass X-RAY DIFFRACTION 2.0 0.179 DMD C9 H10 N2 146.193 0.9218268 Ki = 1937.0 pass pass pass pass 7CMF pass pass pass X-RAY DIFFRACTION 2.3 0.2451 G60 C11 H13 Cl N2 208.689 0.52300567 Kd = 916000.0 pass pass pass pass 7CPZ pass pass pass X-RAY DIFFRACTION 2.5 0.206 BTN C10 H16 N2 O3 S 244.309 0.95181294 Kd = 0.0030600000000000002 pass pass pass pass 7D1D pass pass pass X-RAY DIFFRACTION 1.75 0.1329 1BN C10 H10 N2 158.204 0.86163698 Ki = 2100.0 pass pass pass pass 7D1E pass pass pass X-RAY DIFFRACTION 1.85 0.1388 AHN C7 H11 N3 O 153.185 0.83808239 Ki = 59300.0 pass pass pass pass 7D1V pass pass pass X-RAY DIFFRACTION 1.332 0.1788 GOU C12 H13 Cl N6 O 292.727 0.84292005 Kd = 680.0 pass pass pass pass 7D22 pass pass pass X-RAY DIFFRACTION 1.6 0.1942 GQ0 C13 H15 Cl N6 O 306.754 0.85904363 Kd = 440.0 pass pass pass pass 7D24 pass pass pass X-RAY DIFFRACTION 1.55 0.1803 GQ3 C13 H17 Cl N6 O 308.77 0.85393379 Kd = 15600.0 pass pass pass pass 7D25 pass pass pass X-RAY DIFFRACTION 1.65 0.186 GQ6 C13 H12 Cl N5 273.724 0.84185532 Kd = 410.0 pass pass pass pass 7DC7 pass pass pass X-RAY DIFFRACTION 1.77 0.1767 ATP C10 H16 N5 O13 P3 507.182 0.70666396 Kd = 31600.0 pass pass pass pass 7DNU pass pass pass X-RAY DIFFRACTION 2.245 0.1708 IHP C6 H18 O24 P6 660.03 0.23889585 Kd = 22480.0 pass pass pass pass 7E9Y pass pass pass X-RAY DIFFRACTION 2.25 0.1468 2OP C3 H6 O3 90.078 1.0 Kd = 4100.0 pass pass pass pass 7EDQ pass pass pass X-RAY DIFFRACTION 1.266 0.1698 HFC C9 H6 O4 178.143 0.6295947 Ki = 184000.0 pass pass pass pass 7EFQ pass pass pass X-RAY DIFFRACTION 2.3 0.2243 J3F C26 H29 N3 O5 S 495.594 0.90857021 Kd = 1558.0 pass pass pass pass 7EI4 pass pass pass X-RAY DIFFRACTION 1.66 0.1142 J3U C16 H20 O4 276.332 0.84105998 Ki = 297100.0 pass pass pass pass 7EJV pass pass pass X-RAY DIFFRACTION 2.5 0.2007 YK2 C25 H27 F N8 O S 506.604 0.69440413 Kd = 92.0 pass pass pass pass 7EN8 pass pass pass X-RAY DIFFRACTION 1.83 0.2248 J7R C24 H24 Br N5 O4 526.391 0.77537763 Kd = 36.6 pass pass pass pass 7ERK pass pass pass X-RAY DIFFRACTION 1.703 0.1896 1N1 C22 H26 Cl N7 O2 S 488.007 0.49272519 Kd = 3100.0 pass pass pass pass 7ET9 pass pass pass X-RAY DIFFRACTION 1.9 0.1553 PYR C3 H4 O3 88.062 0.94268017 Kd = 980000.0 pass pass pass pass 7ETA pass pass pass X-RAY DIFFRACTION 1.9 0.1565 PYR C3 H4 O3 88.062 0.93581182 Kd = 320000.0 pass pass pass pass 7ETB pass pass pass X-RAY DIFFRACTION 1.85 0.1459 PYR C3 H4 O3 88.062 0.93631363 Kd = 620000.0 pass pass pass pass 7EW9 pass pass pass X-RAY DIFFRACTION 2.13 0.2009 05C C29 H38 N6 O 486.664 0.84286792 Kd = 25800.0 pass pass pass pass 7EXO pass pass pass X-RAY DIFFRACTION 1.75 0.1594 BMA C6 H12 O6 180.156 0.63641735 Kd = 317000.0 pass pass pass pass 7F3Y pass pass pass X-RAY DIFFRACTION 2.252 0.1822 MTX C20 H22 N8 O5 454.447 0.83376128 Ki = 0.2 pass pass pass pass 7F9G pass pass pass X-RAY DIFFRACTION 1.331 0.1551 FUC C6 H12 O5 164.157 0.77726888 Kd = 4720.0 pass pass pass pass 7FBL pass pass pass X-RAY DIFFRACTION 1.419 0.1617 MAN C6 H12 O6 180.156 0.7259417 Kd = 66200.0 pass pass pass pass 7FCM pass pass pass X-RAY DIFFRACTION 2.22 0.1736 TCL C12 H7 Cl3 O2 289.536 0.832887 Ki = 62.93 pass pass pass pass 7FJH pass pass pass X-RAY DIFFRACTION 1.79 0.1801 4R9 C10 H13 N O2 179.219 0.60366611 Kd = 4600000.0 pass pass pass pass 7FV6 pass pass pass X-RAY DIFFRACTION 1.19 0.1752 ZKZ C18 H21 N3 O4 343.383 0.70266332 Kd = 18000.0 pass pass pass pass 7JNB pass pass pass X-RAY DIFFRACTION 2.0 0.2092 A2G C8 H15 N O6 221.209 0.59428459 Kd = 2900000.0 pass pass pass pass 7JNF pass pass pass X-RAY DIFFRACTION 2.1 0.2313 A2G C8 H15 N O6 221.209 0.59033493 Kd = 2900000.0 pass pass pass pass 7JOM pass pass pass X-RAY DIFFRACTION 1.84 0.1677 TO3 C20 H15 F4 N3 O4 S 469.409 0.63397654 Ki = 0.7 pass pass pass pass 7JRL pass pass pass X-RAY DIFFRACTION 1.5 0.1833 NAG C8 H15 N O6 221.209 0.58672212 Kd = 2600000.0 pass pass pass pass 7JW5 pass pass pass X-RAY DIFFRACTION 1.526 0.1658 Z7Z C13 H10 O2 198.221 0.85237064 Kd = 1700.0 pass pass pass pass 7K03 pass pass pass X-RAY DIFFRACTION 1.6 0.1523 VJM C20 H26 N6 O2 S 414.528 0.73292279 Kd = 1.0 pass pass pass pass 7KCE pass pass pass X-RAY DIFFRACTION 1.14 0.1436 J41 C19 H15 N3 O 301.349 0.58203707 Kd = 70000.0 pass pass pass pass 7KH8 pass pass pass X-RAY DIFFRACTION 1.3 0.1254 WE7 C19 H15 Cl2 N5 384.264 0.753736 Ki = 26.15 pass pass pass pass 7KHN pass pass pass X-RAY DIFFRACTION 2.31 0.1972 NCT C10 H14 N2 162.236 0.83357924 Kd = 39000.0 pass pass pass pass 7KJJ pass pass pass X-RAY DIFFRACTION 1.55 0.1721 T44 C15 H11 I4 N O4 776.872 0.45647522 Kd = 2330.0 pass pass pass pass 7KJS pass pass pass X-RAY DIFFRACTION 2.187 0.2281 WG1 C20 H27 F2 N5 O4 S 471.523 0.84794634 Ki = 0.13 pass pass pass pass 7KJZ pass pass pass X-RAY DIFFRACTION 2.43 0.1822 4IP C6 H16 O18 P4 500.072 0.96277405 Kd = 3500.0 pass pass pass pass 7KK3 pass pass pass X-RAY DIFFRACTION 2.06 0.213 2YQ C19 H14 F2 N6 O 380.358 0.84132823 Kd = 0.6 pass pass pass pass 7KK4 pass pass pass X-RAY DIFFRACTION 1.96 0.217 09L C24 H23 F N4 O3 434.471 0.89157811 Kd = 0.8 pass pass pass pass 7KK5 pass pass pass X-RAY DIFFRACTION 1.7 0.206 3JD C19 H20 N4 O 320.396 0.87939231 Kd = 5.4 pass pass pass pass 7KKN pass pass pass X-RAY DIFFRACTION 1.48 0.184 2YQ C19 H14 F2 N6 O 380.358 0.82677123 Kd = 14.0 pass pass pass pass 7KKO pass pass pass X-RAY DIFFRACTION 1.56 0.194 09L C24 H23 F N4 O3 434.471 0.95632515 Kd = 1700.0 pass pass pass pass 7KKP pass pass pass X-RAY DIFFRACTION 1.4 0.187 3JD C19 H20 N4 O 320.396 0.79327838 Kd = 34.0 pass pass pass pass 7KKQ pass pass pass X-RAY DIFFRACTION 1.59 0.204 78P C13 H16 N4 O 244.298 0.85027675 Kd = 17.0 pass pass pass pass 7KPY pass pass pass X-RAY DIFFRACTION 1.7 0.2019 WU1 C27 H31 Cl N4 O2 479.021 0.67799959 Kd = 315.0 pass pass pass pass 7KUA pass pass pass X-RAY DIFFRACTION 1.89 0.1785 IAC C10 H9 N O2 175.187 0.7039603 Kd = 4449.0 pass pass pass pass 7L1A pass pass pass X-RAY DIFFRACTION 1.25 0.123 XE1 H9 N2 O8 P3 258.0 0.59554832 Ki = 120.0 pass pass pass pass 7L1I pass pass pass X-RAY DIFFRACTION 2.35 0.214 IAC C10 H9 N O2 175.187 0.67864517 Kd = 1293.0 pass pass pass pass 7LA9 pass pass pass X-RAY DIFFRACTION 2.2 0.1846 XR7 C44 H50 N4 O11 S2 875.021 0.81508399 Kd = 0.095 pass pass pass pass 7LBV pass pass pass X-RAY DIFFRACTION 1.7 0.1517 DAN C11 H17 N O8 291.256 0.8627835 Ki = 120000.0 pass pass pass pass 7LCZ pass pass pass X-RAY DIFFRACTION 1.65 0.212 NMN C11 H16 N2 O8 P 335.229 0.95291634 Kd = 6390.0 pass pass pass pass 7LH7 pass pass pass X-RAY DIFFRACTION 1.409 0.1854 XZM C42 H40 F3 N7 O7 S5 972.118 0.78315612 Kd = 0.4 pass pass pass pass 7LJS pass pass pass X-RAY DIFFRACTION 2.0 0.1721 Y3G C6 H4 N2 O2 136.11 0.82436012 Kd = 9500.0 pass pass pass pass 7LTJ pass pass pass X-RAY DIFFRACTION 1.8 0.1616 YD1 C15 H14 Cl2 N4 O3 369.202 0.82841483 Ki = 2900.0 pass pass pass pass 7LTZ pass pass pass X-RAY DIFFRACTION 1.53 0.179 YDA C28 H34 N10 O2 542.648 0.8244513 Kd = 0.07 pass pass pass pass 7LWG pass pass pass X-RAY DIFFRACTION 1.3 0.1442 YN7 C29 H28 Cl F3 N8 O4 645.039 0.70444942 Kd = 5.0 pass pass pass pass 7M3Y pass pass pass X-RAY DIFFRACTION 1.69 0.1867 YQ7 C16 H12 Cl N5 O 325.756 0.64797995 Ki = 4900.0 pass pass pass pass 7M41 pass pass pass X-RAY DIFFRACTION 1.79 0.1698 YQG C20 H16 Cl N7 O3 S 469.904 0.55076079 Ki = 70.0 pass pass pass pass 7MER pass pass pass X-RAY DIFFRACTION 1.74 0.1639 HYP C5 H9 N O3 131.131 0.95438328 Ki = 700000.0 pass pass pass pass 7MES pass pass pass X-RAY DIFFRACTION 1.37 0.1606 UY7 C5 H9 N O3 131.131 0.95815567 Ki = 9000000.0 pass pass pass pass 7MLD pass pass pass X-RAY DIFFRACTION 1.8 0.161 ZLG C34 H35 F N6 O4 610.69 0.93099734 Kd = 1.7 pass pass pass pass 7MLN pass pass pass X-RAY DIFFRACTION 1.52 0.1888 ZJA C12 H10 O2 S 218.27 0.77793101 Kd = 372000.0 pass pass pass pass 7MLO pass pass pass X-RAY DIFFRACTION 1.65 0.2095 ZJ7 C14 H14 O2 S 246.324 0.954869 Kd = 319000.0 pass pass pass pass 7MLP pass pass pass X-RAY DIFFRACTION 1.78 0.1807 ZJ4 C13 H12 O2 S 232.297 0.71809291 Kd = 130000.0 pass pass pass pass 7MLQ pass pass pass X-RAY DIFFRACTION 1.32 0.1401 ZHV C23 H28 Br2 N6 O 564.326 0.66745736 Kd = 6.4 pass pass pass pass 7MLR pass pass pass X-RAY DIFFRACTION 1.2 0.1356 ZHS C25 H34 N6 O 434.588 0.66891523 Kd = 12.0 pass pass pass pass 7MLT pass pass pass X-RAY DIFFRACTION 1.8 0.1772 ZJD C13 H12 O2 S 232.297 0.74386616 Kd = 306000.0 pass pass pass pass 7MS5 pass pass pass X-RAY DIFFRACTION 1.98 0.1822 ZOG C21 H21 F2 N O5 S 437.457 0.5546707 Kd = 12000.0 pass pass pass pass 7MS6 pass pass pass X-RAY DIFFRACTION 1.55 0.1478 ZPV C20 H21 F N2 O5 S 420.455 0.60333296 Kd = 9000.0 pass pass pass pass 7MS7 pass pass pass X-RAY DIFFRACTION 1.45 0.1694 ZQ1 C19 H20 Cl N3 O5 S 437.895 0.56822368 Kd = 2800.0 pass pass pass pass 7MYP pass pass pass X-RAY DIFFRACTION 1.65 0.1995 G04 C29 H40 N2 O9 S 592.704 0.91620815 Ki = 15.8 pass pass pass pass 7MYY pass pass pass X-RAY DIFFRACTION 1.5 0.2018 7OA C33 H40 F2 N4 O7 S2 706.82 0.88066974 Ki = 17.0 pass pass pass pass 7MZS pass pass pass X-RAY DIFFRACTION 1.72 0.1726 GLA C6 H12 O6 180.156 0.79041609 Kd = 162300.0 pass pass pass pass 7N14 pass pass pass X-RAY DIFFRACTION 1.537 0.1646 ZRS C9 H7 N3 O2 189.174 0.85449093 Kd = 18300.0 pass pass pass pass 7N6V pass pass pass X-RAY DIFFRACTION 1.39 0.1603 478 C25 H35 N3 O6 S 505.63 0.90600774 Ki = 5.2 pass pass pass pass 7NAE pass pass pass X-RAY DIFFRACTION 2.35 0.2033 TOP C14 H18 N4 O3 290.323 0.89815039 Kd = 23.6 pass pass pass pass 7NDS pass pass pass X-RAY DIFFRACTION 2.4 0.1785 UB7 C8 H6 O4 166.132 1.0 Kd = 364.0 pass pass pass pass 7NEX pass pass pass X-RAY DIFFRACTION 1.81 0.1953 8JS C13 H12 F N3 O2 S2 325.376 0.72691433 Ki = 23.3 pass pass pass pass 7NG1 pass pass pass X-RAY DIFFRACTION 1.67 0.1777 TN8 C15 H16 I N3 O2 S Se 508.247 0.83887968 Ki = 4.7 pass pass pass pass 7NIY pass pass pass X-RAY DIFFRACTION 1.03 0.1049 FMN C17 H21 N4 O9 P 456.348 0.35436462 Ki = 7000.0 pass pass pass pass 7NL6 pass pass pass X-RAY DIFFRACTION 2.2 0.1942 UH8 C14 H18 N4 O5 322.321 0.40056517 Kd = 160000.0 pass pass pass pass 7NLP pass pass pass X-RAY DIFFRACTION 2.213 0.2051 GGB C5 H12 N4 O3 176.176 0.97146492 Kd = 4500.0 pass pass pass pass 7NNB pass pass pass X-RAY DIFFRACTION 2.186 0.1986 97Q C11 H5 F6 N O 281.155 0.56361622 Kd = 7700.0 pass pass pass pass 7NOU pass pass pass X-RAY DIFFRACTION 1.98 0.1745 NMR C6 H4 B Cl2 O2 189.806 0.96148591 Kd = 120000.0 pass pass pass pass 7NQM pass pass pass X-RAY DIFFRACTION 1.6 0.1639 UMZ C14 H13 N3 223.279 0.81376821 Kd = 483000.0 pass pass pass pass 7NTB pass pass pass X-RAY DIFFRACTION 1.7 0.1726 URH C21 H18 N2 O4 S 394.445 0.66938877 Ki = 1050.0 pass pass pass pass 7O1Y pass pass pass X-RAY DIFFRACTION 1.7 0.1622 UYQ C10 H16 N8 248.294 0.73276825 Ki = 3100.0 pass pass pass pass 7O35 pass pass pass X-RAY DIFFRACTION 1.8 0.1558 GTP C10 H16 N5 O14 P3 523.181 0.51913562 Kd = 196000.0 pass pass pass pass 7O36 pass pass pass X-RAY DIFFRACTION 2.0 0.1898 GTP C10 H16 N5 O14 P3 523.181 0.59279131 Kd = 196000.0 pass pass pass pass 7O4N pass pass pass X-RAY DIFFRACTION 1.4 0.1484 SAM C15 H22 N6 O5 S 398.438 0.73525119 Kd = 39000.0 pass pass pass pass 7O4O pass pass pass X-RAY DIFFRACTION 1.52 0.1689 SAH C14 H20 N6 O5 S 384.411 0.76153923 Kd = 940.0 pass pass pass pass 7O6R pass pass pass X-RAY DIFFRACTION 2.0 0.1862 LZ1 C7 H6 N2 118.139 0.99508804 Kd = 1100000.0 pass pass pass pass 7O9H pass pass pass X-RAY DIFFRACTION 2.4 0.2033 0O2 C10 H18 N5 O20 P5 683.139 0.63562219 Kd = 66600.0 pass pass pass pass 7OAJ pass pass pass X-RAY DIFFRACTION 1.93 0.1946 V6E C24 H30 Cl2 N6 O2 505.444 0.75226093 Kd = 220.0 pass pass pass pass 7OAK pass pass pass X-RAY DIFFRACTION 2.23 0.2225 V6B C24 H30 Br2 N6 O3 610.351 0.77855552 Kd = 22.0 pass pass pass pass 7OAL pass pass pass X-RAY DIFFRACTION 2.17 0.2206 V62 C25 H32 Br2 N6 O3 624.378 0.77759301 Kd = 38.0 pass pass pass pass 7OFY pass pass pass X-RAY DIFFRACTION 1.7 0.1494 VCW C9 H18 O10 S 318.293 0.99863559 Kd = 290.0 pass pass pass pass 7ONF pass pass pass X-RAY DIFFRACTION 1.6 0.12851 VKK C15 H18 O8 326.301 0.95667917 Ki = 31400.0 pass pass pass pass 7OVO pass pass pass X-RAY DIFFRACTION 2.1 0.189 QEI C12 H15 N5 O3 277.284 0.88092127 Ki = 330.0 pass pass pass pass 7OWJ pass pass pass X-RAY DIFFRACTION 2.5 0.1868 GTP C10 H16 N5 O14 P3 523.181 0.80169356 Kd = 7200.0 pass pass pass pass 7OYP pass pass pass X-RAY DIFFRACTION 1.05 0.1175 3I4 C12 H18 N4 O6 S 346.358 0.66302104 Ki = 23.0 pass pass pass pass 7OYS pass pass pass X-RAY DIFFRACTION 1.57 0.174 SPD C7 H19 N3 145.25 0.92395792 Kd = 9440.0 pass pass pass pass 7OYT pass pass pass X-RAY DIFFRACTION 1.6 0.1777 SPD C7 H19 N3 145.25 0.93779392 Kd = 9900.0 pass pass pass pass 7OYU pass pass pass X-RAY DIFFRACTION 1.95 0.2008 SPD C7 H19 N3 145.25 0.94583922 Kd = 5320.0 pass pass pass pass 7OYV pass pass pass X-RAY DIFFRACTION 1.9 0.2273 SPD C7 H19 N3 145.25 0.9890947 Kd = 1480.0 pass pass pass pass 7OYW pass pass pass X-RAY DIFFRACTION 1.28 0.1324 SPD C7 H19 N3 145.25 0.99645286 Kd = 3330.0 pass pass pass pass 7OYX pass pass pass X-RAY DIFFRACTION 1.37 0.1653 SPD C7 H19 N3 145.25 0.97668523 Kd = 840.0 pass pass pass pass 7OYY pass pass pass X-RAY DIFFRACTION 1.36 0.1563 SPD C7 H19 N3 145.25 0.91832042 Kd = 9430.0 pass pass pass pass 7OYZ pass pass pass X-RAY DIFFRACTION 1.49 0.1756 SPD C7 H19 N3 145.25 0.91601565 Kd = 37320.0 pass pass pass pass 7P4F pass pass pass X-RAY DIFFRACTION 2.3 0.1613 5IK C26 H25 N O4 415.489 0.95539814 Ki = 4500.0 pass pass pass pass 7P4H pass pass pass X-RAY DIFFRACTION 2.1 0.1676 5IH C17 H21 N O3 287.359 0.96179792 Ki = 93.0 pass pass pass pass 7P5P pass pass pass X-RAY DIFFRACTION 1.85 0.1526 5RB C31 H34 N6 O3 538.652 0.79554206 Kd = 2.5 pass pass pass pass 7P5T pass pass pass X-RAY DIFFRACTION 1.3 0.1367 5YG C20 H20 N2 O 304.393 0.9002543 Kd = 160.0 pass pass pass pass 7PAD pass pass pass X-RAY DIFFRACTION 1.49 0.1836 O7W C25 H28 N4 O2 416.525 0.95873118 Kd = 436.0 pass pass pass pass 7PAE pass pass pass X-RAY DIFFRACTION 1.85 0.203 O7T C40 H37 N5 O 603.77 0.98484746 Kd = 194.0 pass pass pass pass 7POL pass pass pass X-RAY DIFFRACTION 1.95 0.2013 7X9 C14 H12 F N O3 261.252 0.76813305 Kd = 20000.0 pass pass pass pass 7POQ pass pass pass X-RAY DIFFRACTION 1.85 0.1912 7WK C16 H21 N O5 307.346 0.83401624 Kd = 14000.0 pass pass pass pass 7POR pass pass pass X-RAY DIFFRACTION 2.26 0.1883 7XH C29 H37 F N6 O4 S 584.711 0.77354797 Ki = 0.012589254117941661 pass pass pass pass 7POU pass pass pass X-RAY DIFFRACTION 2.03 0.2108 6JP C16 H14 O6 302.282 0.83986081 Kd = 22000.0 pass pass pass pass 7PRQ pass pass pass X-RAY DIFFRACTION 2.0 0.1754 CHT C5 H14 N O 104.173 0.99259269 Kd = 2600.0 pass pass pass pass 7PRR pass pass pass X-RAY DIFFRACTION 1.8 0.1668 ACH C7 H16 N O2 146.21 0.98744408 Kd = 23000.0 pass pass pass pass 7PS9 pass pass pass X-RAY DIFFRACTION 1.8 0.1929 8W7 C25 H27 N3 O5 449.507 0.59867193 Kd = 409.0 pass pass pass pass 7PSG pass pass pass X-RAY DIFFRACTION 1.91 0.1851 BET C5 H12 N O2 118.156 0.99336481 Kd = 7500.0 pass pass pass pass 7PSO pass pass pass X-RAY DIFFRACTION 1.52 0.1845 835 C14 H14 N4 O3 286.291 0.75601167 Kd = 4840.0 pass pass pass pass 7PSY pass pass pass X-RAY DIFFRACTION 0.9 0.1158 FUC C6 H12 O5 164.157 0.74720316 Kd = 7960.0 pass pass pass pass 7PSZ pass pass pass X-RAY DIFFRACTION 1.898 0.2225 85H C31 H23 Cl6 N2 O 652.238 0.86589299 Kd = 3000.0 pass pass pass pass 7PWY pass pass pass X-RAY DIFFRACTION 2.5 0.2105 8EK C18 H13 N3 O3 S2 383.44 0.88199391 Ki = 0.85 pass pass pass pass 7Q6R pass pass pass X-RAY DIFFRACTION 2.44 0.18714 DEB C21 H38 O6 386.529 0.78677666 Kd = 8500.0 pass pass pass pass 7Q6T pass pass pass X-RAY DIFFRACTION 2.05 0.1971 96L C30 H39 F N8 O2 562.694 0.67498168 Kd = 1.2589254117941662 pass pass pass pass 7Q89 pass pass pass X-RAY DIFFRACTION 2.08 0.17037 DEB C21 H38 O6 386.529 0.85625735 Kd = 1200.0 pass pass pass pass 7QBB pass pass pass X-RAY DIFFRACTION 2.0 0.207 V1B C21 H17 N3 O2 343.386 0.80131543 Kd = 170.0 pass pass pass pass 7QC5 pass pass pass X-RAY DIFFRACTION 1.2 0.1596 AQI C13 H8 F N O6 293.206 0.58594576 Kd = 6.2 pass pass pass pass 7QG7 pass pass pass X-RAY DIFFRACTION 1.72 0.1831 U08 C12 H13 N5 O4 291.267 0.83931718 Kd = 10300.0 pass pass pass pass 7QGA pass pass pass X-RAY DIFFRACTION 1.5 0.1646 BOI C18 H24 Cl N3 O11 P2 555.798 0.52463196 Ki = 0.673 pass pass pass pass 7QGL pass pass pass X-RAY DIFFRACTION 1.5 0.1577 BW0 C20 H27 N3 O13 P2 579.392 0.53962615 Ki = 0.848 pass pass pass pass 7QGO pass pass pass X-RAY DIFFRACTION 2.206 0.2388 BW0 C20 H27 N3 O13 P2 579.392 0.81585595 Ki = 0.848 pass pass pass pass 7QIE pass pass pass X-RAY DIFFRACTION 2.39 0.211 DVF C22 H23 N5 357.461 0.925815 Kd = 68.0 pass pass pass pass 7QLB pass pass pass X-RAY DIFFRACTION 1.8 0.1503 E4I C4 H7 N3 O2 S 161.179 0.93783698 Kd = 24500.0 pass pass pass pass 7QQ7 pass pass pass X-RAY DIFFRACTION 1.6 0.1642 EIQ C18 H16 N2 O2 S 324.398 0.92050579 Kd = 880.0 pass pass pass pass 7QQG pass pass pass X-RAY DIFFRACTION 2.43 0.2239 DGJ C6 H13 N O4 163.173 0.97338454 Kd = 1330.0 pass pass pass pass 7QT2 pass pass pass X-RAY DIFFRACTION 1.92 0.1954 7V7 C22 H28 N2 O 336.479 0.86674983 Kd = 2.2 pass pass pass pass 7QT3 pass pass pass X-RAY DIFFRACTION 1.7 0.201 7V7 C22 H28 N2 O 336.479 0.82221692 Kd = 2.3 pass pass pass pass 7QXQ pass pass pass X-RAY DIFFRACTION 2.251 0.1715 CEI C25 H21 N3 O3 411.461 0.96241015 Kd = 16000.0 pass pass pass pass 7QY0 pass pass pass X-RAY DIFFRACTION 1.54 0.1493 I0T C32 H42 Cl2 N6 O3 629.627 0.68340141 Ki = 3.8 pass pass pass pass 7R8R pass pass pass X-RAY DIFFRACTION 1.8 0.1584 8L6 C30 H42 O9 546.657 0.61766003 Kd = 14.1 pass pass pass pass 7R8S pass pass pass X-RAY DIFFRACTION 1.366 0.1658 8ZU C10 H12 O2 164.204 0.86172086 Kd = 540.0 pass pass pass pass 7R9C pass pass pass X-RAY DIFFRACTION 1.5 0.1676 2IR C32 H37 F3 N6 O 578.683 0.66764281 Kd = 37.2 pass pass pass pass 7RBG pass pass pass X-RAY DIFFRACTION 1.9 0.1789 DCP C9 H16 N3 O13 P3 467.157 0.66036139 Kd = 380.0 pass pass pass pass 7RBH pass pass pass X-RAY DIFFRACTION 1.75 0.1793 DCP C9 H16 N3 O13 P3 467.157 0.65951515 Kd = 380.0 pass pass pass pass 7REB pass pass pass X-RAY DIFFRACTION 1.91 0.2258 560 C24 H25 N5 O2 415.497 0.82754644 Ki = 1.58 pass pass pass pass 7REC pass pass pass X-RAY DIFFRACTION 2.2 0.2088 7ZV C14 H11 Cl2 N O3 312.146 0.92070913 Kd = 300.0 pass pass pass pass 7REH pass pass pass X-RAY DIFFRACTION 1.545 0.1707 ANN C8 H8 O3 152.149 0.86395418 Kd = 1100.0 pass pass pass pass 7RGK pass pass pass X-RAY DIFFRACTION 2.19 0.1843 560 C24 H25 N5 O2 415.497 0.70683507 Ki = 16.76 pass pass pass pass 7RLS pass pass pass X-RAY DIFFRACTION 2.0 0.1624 5YN C15 H13 Cl3 N4 O3 403.644 0.80898367 Kd = 690.0 pass pass pass pass 7RM2 pass pass pass X-RAY DIFFRACTION 2.0 0.1664 5YJ C16 H16 Cl2 N4 O3 383.229 0.81488103 Kd = 1320.0 pass pass pass pass 7RNY pass pass pass X-RAY DIFFRACTION 1.29 0.154 65M C15 H17 N3 O3 S 319.379 0.74361742 Ki = 388.5 pass pass pass pass 7RT4 pass pass pass X-RAY DIFFRACTION 2.1 0.1758 7IZ C27 H28 Cl F N6 O 507.01 0.79826872 Kd = 3500.0 pass pass pass pass 7S25 pass pass pass X-RAY DIFFRACTION 2.337 0.2394 86G C19 H19 N3 O2 321.38 0.92099216 Ki = 38.0 pass pass pass pass 7SCR pass pass pass X-RAY DIFFRACTION 2.12068485322 0.221325707627 8QI C11 H19 N5 O10 P2 443.246 0.80214624 Ki = 20.0 pass pass pass pass 7SH5 pass pass pass X-RAY DIFFRACTION 1.83 0.1695 K2B C27 H44 O 384.648 0.85142163 Kd = 30.0 pass pass pass pass 7SHO pass pass pass X-RAY DIFFRACTION 2.25 0.1917 9UH C20 H24 N10 O13 P2 674.417 0.54376117 Kd = 770.0 pass pass pass pass 7SHP pass pass pass X-RAY DIFFRACTION 2.2 0.2073 9UR C20 H24 N10 O13 P2 674.417 0.97566457 Kd = 4000.0 pass pass pass pass 7SMZ pass pass pass X-RAY DIFFRACTION 2.04 0.1799 K2B C27 H44 O 384.648 0.85299422 Kd = 200.0 pass pass pass pass 7SNU pass pass pass X-RAY DIFFRACTION 1.46 0.1275 HFJ C25 H34 N2 O3 410.558 0.824026 Kd = 4540.0 pass pass pass pass 7SPS pass pass pass X-RAY DIFFRACTION 2.3 0.2119 A0E C27 H30 F N7 O3 519.581 0.90693006 Kd = 316.5 pass pass pass pass 7SQL pass pass pass X-RAY DIFFRACTION 2.4 0.1997 AQX C19 H13 Br F N5 O2 S 474.308 0.64409433 Ki = 55100.0 pass pass pass pass 7SUW pass pass pass X-RAY DIFFRACTION 1.456 0.1614 U77 C26 H31 N3 O6 S 513.609 0.60467075 Ki = 11.1 pass pass pass pass 7SV2 pass pass pass X-RAY DIFFRACTION 2.46 0.1877 MWY C24 H38 N4 O4 S 478.652 0.88090006 Kd = 3410.0 pass pass pass pass 7SV3 pass pass pass X-RAY DIFFRACTION 1.7 0.184 D2Y C20 H32 N2 O13 508.477 0.58735689 Kd = 64.0 pass pass pass pass 7SV4 pass pass pass X-RAY DIFFRACTION 2.06 0.2047 D4I C31 H47 N3 O20 781.718 0.45803281 Kd = 4.7 pass pass pass pass 7SV5 pass pass pass X-RAY DIFFRACTION 1.72 0.1777 D2Y C20 H32 N2 O13 508.477 0.7587037 Kd = 288.0 pass pass pass pass 7T5Z pass pass pass X-RAY DIFFRACTION 2.25 0.1903 F6I C18 H15 F3 N6 O3 S 452.411 0.83757856 Kd = 41500.0 pass pass pass pass 7THS pass pass pass X-RAY DIFFRACTION 1.8 0.1852 I5Y C43 H52 N8 O6 S 808.999 0.66912623 Ki = 1.95 pass pass pass pass 7TJC pass pass pass X-RAY DIFFRACTION 1.35 0.2004 CLM C11 H12 Cl2 N2 O5 323.126 0.92995443 Kd = 940.0 pass pass pass pass 7TO5 pass pass pass X-RAY DIFFRACTION 1.13 0.1226 G8R C33 H42 N4 O7 S2 670.84 0.87162629 Ki = 0.32 pass pass pass pass 7TO6 pass pass pass X-RAY DIFFRACTION 1.21 0.1573 G77 C33 H40 F2 N4 O7 S2 706.82 0.88533918 Ki = 0.018600000000000002 pass pass pass pass 7TP5 pass pass pass X-RAY DIFFRACTION 1.655 0.1668 81M C9 H10 O2 S 182.237 0.87512798 Kd = 20.0 pass pass pass pass 7TP6 pass pass pass X-RAY DIFFRACTION 1.655 0.1921 4MI C8 H8 O2 S 168.21 0.85198573 Kd = 100.0 pass pass pass pass 7TQM pass pass pass X-RAY DIFFRACTION 1.438 0.1784 4MI C8 H8 O2 S 168.21 0.85390338 Kd = 830.0 pass pass pass pass 7TRT pass pass pass X-RAY DIFFRACTION 1.42 0.1489 KQF C11 H8 O3 188.182 0.8535715 Kd = 2700.0 pass pass pass pass 7TRU pass pass pass X-RAY DIFFRACTION 1.454 0.166 KQR C11 H8 O2 S 204.243 0.85305728 Kd = 600.0 pass pass pass pass 7TTQ pass pass pass X-RAY DIFFRACTION 1.62 0.1779 IMD C3 H5 N2 69.087 0.80934093 Kd = 121100.0 pass pass pass pass 7TTV pass pass pass X-RAY DIFFRACTION 1.99 0.1806 QVP C19 H17 N O2 S 323.41 0.73135514 Kd = 900000.0 pass pass pass pass 7TW7 pass pass pass X-RAY DIFFRACTION 1.62 0.1789 SAM C15 H22 N6 O5 S 398.438 0.75951449 Kd = 25000.0 pass pass pass pass 7TW8 pass pass pass X-RAY DIFFRACTION 1.55 0.176 SAH C14 H20 N6 O5 S 384.411 0.78243438 Kd = 5000.0 pass pass pass pass 7TW9 pass pass pass X-RAY DIFFRACTION 1.41 0.1922 SFG C15 H23 N7 O5 381.393 0.76252025 Kd = 22000.0 pass pass pass pass 7U2Z pass pass pass X-RAY DIFFRACTION 2.21 0.247 L7C C19 H20 F N3 O2 341.386 0.71852507 Kd = 66500.0 pass pass pass pass 7U8H pass pass pass X-RAY DIFFRACTION 1.702 0.1724 LX6 C9 H10 N2 S 178.253 0.99492108 Kd = 116000.0 pass pass pass pass 7UAH pass pass pass X-RAY DIFFRACTION 1.57 0.1749 M63 C42 H49 Cl N8 O6 S 829.414 0.69911944 Ki = 1.61 pass pass pass pass 7UAT pass pass pass X-RAY DIFFRACTION 2.0 0.191 PLP C8 H10 N O6 P 247.143 0.72936363 Kd = 124.0 pass pass pass pass 7UBP pass pass pass X-RAY DIFFRACTION 2.3 0.1849 PLP C8 H10 N O6 P 247.143 0.7224685 Kd = 59.0 pass pass pass pass 7UBT pass pass pass X-RAY DIFFRACTION 2.352 0.1994 MIW C33 H38 F2 N5 O7 P S2 749.785 0.56186369 Ki = 1800.0 pass pass pass pass 7UKS pass pass pass X-RAY DIFFRACTION 2.29 0.2423 NL0 C23 H26 F3 N5 429.49 0.6778276 Ki = 0.33 pass pass pass pass 7UR9 pass pass pass X-RAY DIFFRACTION 2.16 0.1606 O5F C34 H31 N5 O2 541.655 0.79136837 Ki = 3.0 pass pass pass pass 7UVM pass pass pass X-RAY DIFFRACTION 2.19 0.1971 OX0 C25 H23 Cl N4 O 430.936 0.8963402 Kd = 23.7 pass pass pass pass 7VE0 pass pass pass X-RAY DIFFRACTION 1.9 0.22225 RIT C37 H48 N6 O5 S2 720.948 0.86392178 Ki = 300.0 pass pass pass pass 7VKA pass pass pass X-RAY DIFFRACTION 2.401 0.1717 7IS C18 H12 Cl F3 N4 O 392.765 0.84179409 Ki = 300.0 pass pass pass pass 7VKG pass pass pass X-RAY DIFFRACTION 1.83 0.202 7IV C15 H14 Cl N O2 275.732 0.754906 Kd = 38000.0 pass pass pass pass 7VKQ pass pass pass X-RAY DIFFRACTION 2.094 0.1662 SAH C14 H20 N6 O5 S 384.411 0.87824114 Kd = 13100.0 pass pass pass pass 7VQF pass pass pass X-RAY DIFFRACTION 2.3 0.2225 IPH C6 H6 O 94.113 1.0 Kd = 70.0 pass pass pass pass 7VRG pass pass pass X-RAY DIFFRACTION 2.4 0.2342 7U8 C22 H14 Cl3 N3 O2 458.723 0.82802818 Kd = 19210.0 pass pass pass pass 7VZ6 pass pass pass X-RAY DIFFRACTION 2.092 0.2008 UPG C15 H24 N2 O17 P2 566.302 0.95612411 Kd = 9500.0 pass pass pass pass 7W61 pass pass pass X-RAY DIFFRACTION 1.6 0.168 NAP C21 H28 N7 O17 P3 743.409 0.94094882 Kd = 3430.0 pass pass pass pass 7WRM pass pass pass X-RAY DIFFRACTION 1.8 0.1803 LMR C4 H6 O5 134.087 0.98759638 Kd = 18780.0 pass pass pass pass 7WVK pass pass pass X-RAY DIFFRACTION 1.42 0.163 6IQ C13 H8 Cl2 N2 O2 S 327.179 0.74512123 Kd = 36800.0 pass pass pass pass 7X0H pass pass pass X-RAY DIFFRACTION 1.85 0.1619 BGC C6 H12 O6 180.156 0.99387099 Kd = 240000.0 pass pass pass pass 7XG8 pass pass pass X-RAY DIFFRACTION 2.25 0.227 PO4 O4 P 94.97 1.0 Kd = 1390.0 pass pass pass pass 7XGX pass pass pass X-RAY DIFFRACTION 2.39 0.2154 UPG C15 H24 N2 O17 P2 566.302 0.95030376 Kd = 10880.0 pass pass pass pass 7XHY pass pass pass X-RAY DIFFRACTION 2.16 0.208 E0X C23 H15 Cl F2 N4 O3 468.844 0.89588441 Ki = 22.4 pass pass pass pass 7XM2 pass pass pass X-RAY DIFFRACTION 2.3 0.1677 GFD C27 H27 N5 O7 S2 597.661 0.76677529 Kd = 230.0 pass pass pass pass 7XM5 pass pass pass X-RAY DIFFRACTION 2.4 0.1736 GCI C34 H38 N6 O9 S2 738.831 0.69962034 Kd = 1030.0 pass pass pass pass 7XNE pass pass pass X-RAY DIFFRACTION 2.17 0.1989 GHF C26 H25 F N4 O4 476.508 0.79689295 Kd = 58.0 pass pass pass pass 7XP1 pass pass pass X-RAY DIFFRACTION 2.5 0.2117 MIC C7 H10 O7 206.15 0.9550108 Kd = 62900.0 pass pass pass pass 7XPS pass pass pass X-RAY DIFFRACTION 2.1 0.2235 GDP C10 H15 N5 O11 P2 443.202 0.86093421 Kd = 200.0 pass pass pass pass 7Y1W pass pass pass X-RAY DIFFRACTION 2.5 0.2292 F9O C15 H19 Cl2 N3 O 328.237 0.91448919 Kd = 20490.0 pass pass pass pass 7YLE pass pass pass X-RAY DIFFRACTION 2.052 0.1865 DQY C5 H12 O2 S 136.209 0.99187674 Kd = 474.0 pass pass pass pass 7YM1 pass pass pass X-RAY DIFFRACTION 2.36 0.201 URF C4 H3 F N2 O2 130.078 0.79141356 Kd = 55900.0 pass pass pass pass 7YV4 pass pass pass X-RAY DIFFRACTION 1.58 0.1789 JXY C17 H16 O5 300.31 0.99512137 Kd = 36.73 pass pass pass pass 7YWM pass pass pass X-RAY DIFFRACTION 1.624 0.1863 ATP C10 H16 N5 O13 P3 507.182 0.74675657 Kd = 20100.0 pass pass pass pass 7YY2 pass pass pass X-RAY DIFFRACTION 1.598 0.1832 EP8 C21 H19 N3 O3 361.401 0.88215278 Kd = 3200.0 pass pass pass pass 7YZM pass pass pass X-RAY DIFFRACTION 1.82 0.1635 ANP C10 H17 N6 O12 P3 506.198 0.82569432 Kd = 7100.0 pass pass pass pass 7Z5U pass pass pass X-RAY DIFFRACTION 1.8 0.1796 IFW C20 H28 N6 O5 432.481 0.88025631 Ki = 11600.0 pass pass pass pass 7Z6Z pass pass pass X-RAY DIFFRACTION 1.75 0.1718 KS8 C23 H34 N O5 P 435.501 0.84195093 Ki = 4.11 pass pass pass pass 7Z70 pass pass pass X-RAY DIFFRACTION 1.85 0.1736 KS8 C23 H34 N O5 P 435.501 0.84131747 Ki = 0.15 pass pass pass pass 7ZGL pass pass pass X-RAY DIFFRACTION 2.5 0.2103 EIQ C18 H16 N2 O2 S 324.398 0.86383663 Kd = 270.0 pass pass pass pass 7ZHF pass pass pass X-RAY DIFFRACTION 1.8 0.1725 GNP C10 H17 N6 O13 P3 522.197 0.66832035 Kd = 22.0 pass pass pass pass 7ZIC pass pass pass X-RAY DIFFRACTION 1.9 0.1875 5YG C20 H20 N2 O 304.393 0.89001658 Kd = 40.0 pass pass pass pass 7ZIY pass pass pass X-RAY DIFFRACTION 1.7 0.191 IYI C35 H42 F3 N4 O8 S 735.795 0.8988722 Kd = 166.0 pass pass pass pass 7ZJ0 pass pass pass X-RAY DIFFRACTION 1.5 0.1747 IYO C35 H45 N4 O8 S 681.825 0.91000283 Kd = 311.0 pass pass pass pass 7ZJP pass pass pass X-RAY DIFFRACTION 2.19 0.19 JJU C18 H12 F3 N3 O2 359.307 0.98471851 Kd = 120.0 pass pass pass pass 7ZKT pass pass pass X-RAY DIFFRACTION 2.06 0.176 LYS C6 H15 N2 O2 147.198 0.93721755 Kd = 2300000.0 pass pass pass pass 7ZLL pass pass pass X-RAY DIFFRACTION 1.649 0.2091 JM3 C14 H16 N2 O2 244.294 0.78419527 Kd = 47000.0 pass pass pass pass 7ZP2 pass pass pass X-RAY DIFFRACTION 2.292 0.1636 EJG C24 H26 N2 O3 S 422.543 0.81225139 Kd = 66.3 pass pass pass pass 7ZQX pass pass pass X-RAY DIFFRACTION 1.05 0.1087 JU0 C19 H16 Br F3 N4 O4 S 533.319 0.59345616 Kd = 25.0 pass pass pass pass 7ZUP pass pass pass X-RAY DIFFRACTION 2.01 0.2188 JYX C8 H10 N4 162.196 0.87259919 Kd = 28000.0 pass pass pass pass 8A0I pass pass pass X-RAY DIFFRACTION 1.624 0.2103 CNZ C24 H28 N3 O7 S 502.562 0.74233309 Ki = 5100.0 pass pass pass pass 8A0O pass pass pass X-RAY DIFFRACTION 1.837 0.2177 KMC C15 H10 O5 270.24 0.7688202 Ki = 43800.0 pass pass pass pass 8A0P pass pass pass X-RAY DIFFRACTION 1.686 0.215 MRI C15 H10 O7 302.238 0.77306122 Ki = 16000.0 pass pass pass pass 8A0Q pass pass pass X-RAY DIFFRACTION 2.048 0.217 3WL C15 H10 O5 270.24 0.72870587 Ki = 7100.0 pass pass pass pass 8A0R pass pass pass X-RAY DIFFRACTION 1.6 0.2136 KML C15 H12 O4 256.257 0.70933367 Ki = 61200.0 pass pass pass pass 8A46 pass pass pass X-RAY DIFFRACTION 1.323 0.1982 L5F C30 H32 N4 O7 S 592.667 0.75319843 Kd = 4.15 pass pass pass pass 8A76 pass pass pass X-RAY DIFFRACTION 1.5 0.1658 L82 C25 H26 N6 O2 S 474.583 0.70624992 Ki = 570.0 pass pass pass pass 8AAP pass pass pass X-RAY DIFFRACTION 2.174 0.2037 LLV C28 H24 Br F N2 O5 567.411 0.67748601 Kd = 1800.0 pass pass pass pass 8AFB pass pass pass X-RAY DIFFRACTION 1.12 0.202 GDP C10 H15 N5 O11 P2 443.202 0.82405703 Ki = 2500.0 pass pass pass pass 8AHG pass pass pass X-RAY DIFFRACTION 1.885 0.1785 M4I C11 H14 N4 O 218.26 0.88592905 Kd = 290000.0 pass pass pass pass 8AHH pass pass pass X-RAY DIFFRACTION 2.037 0.1842 M4X C10 H8 N4 O 200.201 0.89871474 Kd = 15000.0 pass pass pass pass 8AN8 pass pass pass X-RAY DIFFRACTION 2.394 0.2411 MDI C27 H26 F2 N4 O 460.528 0.88213129 Kd = 7200.0 pass pass pass pass 8AVQ pass pass pass X-RAY DIFFRACTION 2.0 0.1956 UDX C14 H22 N2 O16 P2 536.276 0.86108579 Kd = 31200.0 pass pass pass pass 8AZ8 pass pass pass X-RAY DIFFRACTION 1.18 0.1637 OEI C9 H13 N O 151.209 0.41749226 Kd = 8320000.0 pass pass pass pass 8AZV pass pass pass X-RAY DIFFRACTION 1.05 0.1546 OFU C23 H28 N7 O2 S 466.584 0.76340547 Kd = 6.9 pass pass pass pass 8AZX pass pass pass X-RAY DIFFRACTION 1.04 0.1611 OFU C23 H28 N7 O2 S 466.584 0.75979347 Kd = 4.5 pass pass pass pass 8AZY pass pass pass X-RAY DIFFRACTION 1.09 0.164 OFU C23 H28 N7 O2 S 466.584 0.7691904 Kd = 32.0 pass pass pass pass 8AZZ pass pass pass X-RAY DIFFRACTION 1.02 0.145 OFU C23 H28 N7 O2 S 466.584 0.76084439 Kd = 26.0 pass pass pass pass 8B00 pass pass pass X-RAY DIFFRACTION 1.04 0.1439 OFU C23 H28 N7 O2 S 466.584 0.75501351 Kd = 4.3 pass pass pass pass 8B1W pass pass pass X-RAY DIFFRACTION 1.7 0.1915 OQU C10 H6 Br F3 N4 S 351.144 0.71713784 Ki = 25800.0 pass pass pass pass 8B1Z pass pass pass X-RAY DIFFRACTION 1.6 0.1731 ORL C17 H11 F3 N4 O2 S 392.355 0.65593087 Ki = 24500.0 pass pass pass pass 8B20 pass pass pass X-RAY DIFFRACTION 1.78 0.184 OQK C17 H11 F3 N4 O2 S 392.355 0.6592866 Ki = 5600.0 pass pass pass pass 8B6M pass pass pass X-RAY DIFFRACTION 1.6 0.1849 OY6 C30 H27 N5 O4 S 553.637 0.88725185 Ki = 8.5 pass pass pass pass 8BDI pass pass pass X-RAY DIFFRACTION 2.108 0.2083 QF7 C29 H38 F N5 O5 S 587.711 0.72992875 Kd = 52.0 pass pass pass pass 8BDJ pass pass pass X-RAY DIFFRACTION 2.02 0.1941 QE0 C25 H34 Cl N3 O6 508.012 0.64009298 Kd = 93.0 pass pass pass pass 8BJD pass pass pass X-RAY DIFFRACTION 2.4 0.2455 9QN C21 H23 Cl2 N3 O4 S 484.392 0.65677204 Kd = 1270.0 pass pass pass pass 8BJE pass pass pass X-RAY DIFFRACTION 1.49 0.1975 WRL C22 H25 Cl2 N3 O4 S 498.419 0.63278152 Kd = 123.5 pass pass pass pass 8BK5 pass pass pass X-RAY DIFFRACTION 1.44 0.1838 9QN C21 H23 Cl2 N3 O4 S 484.392 0.60922022 Kd = 2270.0 pass pass pass pass 8BM2 pass pass pass X-RAY DIFFRACTION 1.5 0.1773 QQC C23 H25 Cl F N7 O 469.949 0.88527346 Kd = 11.0 pass pass pass pass 8BRO pass pass pass X-RAY DIFFRACTION 1.55 0.1424 R7E C18 H22 N2 O6 362.382 0.38698005 Kd = 159000.0 pass pass pass pass 8BRV pass pass pass X-RAY DIFFRACTION 1.53 0.1507 B3M C6 H13 N O2 S 163.235 0.77352936 Kd = 900000.0 pass pass pass pass 8BRX pass pass pass X-RAY DIFFRACTION 1.54 0.1647 B3M C6 H13 N O2 S 163.235 0.72750922 Kd = 900000.0 pass pass pass pass 8BZ7 pass pass pass X-RAY DIFFRACTION 2.2 0.1873 TRH C16 H26 N2 O15 P2 548.331 0.81229885 Kd = 4710.0 pass pass pass pass 8BZS pass pass pass X-RAY DIFFRACTION 2.25 0.15104 3WL C15 H10 O5 270.24 0.78545366 Ki = 5660.0 pass pass pass pass 8BZX pass pass pass X-RAY DIFFRACTION 2.05 0.2171 SW6 C16 H22 N3 O5 P S 399.402 0.97317201 Ki = 60.0 pass pass pass pass 8C1F pass pass pass X-RAY DIFFRACTION 1.924 0.2047 T2O C19 H17 Cl N2 O3 S 388.866 0.65903737 Kd = 200.0 pass pass pass pass 8C3U pass pass pass X-RAY DIFFRACTION 1.945 0.2077 T9C C26 H19 N3 O6 469.453 0.9162647 Kd = 1100.0 pass pass pass pass 8C4P pass pass pass X-RAY DIFFRACTION 1.2 0.1388 TJ9 C9 H10 N4 O S2 254.326 0.73304685 Kd = 16300.0 pass pass pass pass 8C85 pass pass pass X-RAY DIFFRACTION 1.19 0.1422 U1F C16 H15 N O5 301.298 0.5658366 Kd = 71.0 pass pass pass pass 8C86 pass pass pass X-RAY DIFFRACTION 1.1 0.1381 TQ0 C16 H15 N O5 301.298 0.56479006 Kd = 25.0 pass pass pass pass 8C8U pass pass pass X-RAY DIFFRACTION 1.901 0.1826 MRC C26 H44 O9 500.629 0.78622096 Ki = 1080.0 pass pass pass pass 8CAL pass pass pass X-RAY DIFFRACTION 2.41 0.2079 U45 C24 H20 N4 O3 412.449 0.46871131 Ki = 1500.0 pass pass pass pass 8CAO pass pass pass X-RAY DIFFRACTION 2.3 0.2164 U40 C29 H30 N4 O3 482.584 0.4976422 Ki = 3300.0 pass pass pass pass 8CB0 pass pass pass X-RAY DIFFRACTION 2.5 0.21268 U4F C23 H20 N2 O3 372.424 0.40770719 Ki = 520.0 pass pass pass pass 8CBY pass pass pass X-RAY DIFFRACTION 2.27 0.2022 HCY C21 H30 O5 362.466 0.77351188 Kd = 7.17 pass pass pass pass 8CC0 pass pass pass X-RAY DIFFRACTION 1.85 0.1905 UQC C21 H28 O5 360.45 0.77099207 Kd = 32.45 pass pass pass pass 8CC1 pass pass pass X-RAY DIFFRACTION 2.0 0.195 TUA C21 H28 O5 360.45 0.78117962 Kd = 12.72 pass pass pass pass 8CD8 pass pass pass X-RAY DIFFRACTION 1.65 0.2073 AES C8 H10 F N O2 S 203.231 0.92600748 Ki = 4000.0 pass pass pass pass 8CHK pass pass pass X-RAY DIFFRACTION 1.55 0.1967 UUI C22 H24 Cl2 N4 O2 S 479.42 0.70947947 Kd = 360.0 pass pass pass pass 8CHM pass pass pass X-RAY DIFFRACTION 1.12 0.13 UT6 C22 H23 Cl2 N3 O2 S 464.405 0.70935084 Kd = 67.0 pass pass pass pass 8CO0 pass pass pass X-RAY DIFFRACTION 2.3 0.16044 V8O C19 H15 N3 O2 S2 381.468 0.80765863 Ki = 29.8 pass pass pass pass 8CO3 pass pass pass X-RAY DIFFRACTION 1.68 0.19939 V8O C19 H15 N3 O2 S2 381.468 0.71483052 Ki = 86.3 pass pass pass pass 8CR0 pass pass pass X-RAY DIFFRACTION 1.22 0.14428 VI6 C16 H14 B F N3 O4 342.113 0.71536171 Ki = 185.8 pass pass pass pass 8CRI pass pass pass X-RAY DIFFRACTION 2.1 0.22334 LPA C8 H14 O2 S2 206.318 0.95339415 Kd = 1900.0 pass pass pass pass 8CX8 pass pass pass X-RAY DIFFRACTION 1.905 0.1775 P1U C11 H7 Cl O3 222.624 0.90988991 Kd = 554000.0 pass pass pass pass 8CYU pass pass pass X-RAY DIFFRACTION 1.8 0.2121 P5X C24 H22 Cl N3 O S 435.97 0.82509936 Kd = 240.0 pass pass pass pass 8CYZ pass pass pass X-RAY DIFFRACTION 1.9 0.2447 P6I C23 H19 Cl N2 O S2 438.988 0.83613543 Kd = 1400.0 pass pass pass pass 8CZ4 pass pass pass X-RAY DIFFRACTION 2.1 0.216 P6R C26 H25 Cl N2 O S 449.009 0.81375223 Kd = 1900.0 pass pass pass pass 8CZ7 pass pass pass X-RAY DIFFRACTION 2.0 0.2419 P7L C23 H19 Cl N2 O2 S 422.927 0.83515239 Kd = 1500.0 pass pass pass pass 8D19 pass pass pass X-RAY DIFFRACTION 1.52 0.17214 GSH C10 H17 N3 O6 S 307.321 0.73358932 Kd = 9600.0 pass pass pass pass 8D6O pass pass pass X-RAY DIFFRACTION 2.2 0.1968 QDX C37 H40 N8 O10 756.773 0.59299441 Kd = 0.5 pass pass pass pass 8DCH pass pass pass X-RAY DIFFRACTION 1.25 0.1457 G52 C30 H40 N2 O9 S 604.715 0.92823164 Ki = 26.0 pass pass pass pass 8DI4 pass pass pass X-RAY DIFFRACTION 2.016 0.2499 S9I C19 H22 N6 O S 382.486 0.83276406 Ki = 0.029 pass pass pass pass 8DML pass pass pass X-RAY DIFFRACTION 2.08 0.1882 JN3 C24 H40 O4 392.58 0.78881758 Kd = 310.3 pass pass pass pass 8DYB pass pass pass X-RAY DIFFRACTION 1.88 0.2202 4MI C8 H8 O2 S 168.21 0.85846854 Kd = 1400.0 pass pass pass pass 8DYG pass pass pass X-RAY DIFFRACTION 1.49 0.2108 U5Q C17 H13 N O3 279.295 0.64229964 Kd = 40000.0 pass pass pass pass 8DYH pass pass pass X-RAY DIFFRACTION 1.94 0.2116 U5X C21 H16 Cl N3 345.83 0.68979634 Kd = 72000.0 pass pass pass pass 8DYJ pass pass pass X-RAY DIFFRACTION 2.2 0.1949 ADP C10 H15 N5 O10 P2 427.203 0.83757979 Kd = 44000.0 pass pass pass pass 8DZ0 pass pass pass X-RAY DIFFRACTION 2.29 0.219 7YY C22 H17 Cl F3 N9 O2 531.883 0.76403849 Ki = 8.9 pass pass pass pass 8DZ1 pass pass pass X-RAY DIFFRACTION 2.08 0.2179 7YY C22 H17 Cl F3 N9 O2 531.883 0.73639974 Ki = 54.2 pass pass pass pass 8E5J pass pass pass X-RAY DIFFRACTION 2.3 0.1665 HX1 C11 H14 O2 178.231 0.87594428 Kd = 390.0 pass pass pass pass 8EIP pass pass pass X-RAY DIFFRACTION 2.24 0.2259 7ID C10 H19 N5 O5 289.292 0.87720245 Kd = 7600.0 pass pass pass pass 8EJV pass pass pass X-RAY DIFFRACTION 2.43 0.2083 SIN C4 H6 O4 118.088 0.98669377 Kd = 1300000.0 pass pass pass pass 8ESX pass pass pass X-RAY DIFFRACTION 1.35 0.1831 X7B C28 H36 B N2 O11 S 619.469 0.91543074 Ki = 0.01 pass pass pass pass 8EUL pass pass pass X-RAY DIFFRACTION 2.24 0.1995 XGE C10 H18 O 154.253 0.79816253 Kd = 33600.0 pass pass pass pass 8F97 pass pass pass X-RAY DIFFRACTION 2.32 0.17878 XM6 C17 H14 F N3 O 295.317 0.83548104 Kd = 95300.0 pass pass pass pass 8FET pass pass pass X-RAY DIFFRACTION 2.202 0.2067 NAP C21 H28 N7 O17 P3 743.409 0.86888335 Kd = 13910.0 pass pass pass pass 8FG9 pass pass pass X-RAY DIFFRACTION 1.95 0.1979 XVO C17 H21 F2 N3 305.372 0.62518752 Ki = 1108.0 pass pass pass pass 8FGA pass pass pass X-RAY DIFFRACTION 1.8947 0.1833 XVU C18 H23 F2 N3 319.399 0.63124717 Ki = 15.0 pass pass pass pass 8FGB pass pass pass X-RAY DIFFRACTION 1.91 0.2015 V80 C17 H22 F2 N4 320.387 0.62030498 Ki = 6577.0 pass pass pass pass 8FGC pass pass pass X-RAY DIFFRACTION 1.779 0.1897 XVZ C16 H19 F2 N3 291.345 0.68208189 Ki = 60.0 pass pass pass pass 8FGN pass pass pass X-RAY DIFFRACTION 2.2 0.1857 XVO C17 H21 F2 N3 305.372 0.68381299 Ki = 61362.0 pass pass pass pass 8FGO pass pass pass X-RAY DIFFRACTION 1.799 0.1883 XVU C18 H23 F2 N3 319.399 0.67228441 Ki = 20423.0 pass pass pass pass 8FIC pass pass pass X-RAY DIFFRACTION 1.7 0.1597 NE4 C20 H30 O2 302.458 0.83860851 Kd = 65.0 pass pass pass pass 8FID pass pass pass X-RAY DIFFRACTION 1.83 0.1876 NE4 C20 H30 O2 302.458 0.84724389 Kd = 65.0 pass pass pass pass 8FQX pass pass pass X-RAY DIFFRACTION 1.496 0.1711 N84 C13 H14 N4 O4 S 322.339 0.81024904 Ki = 463.0 pass pass pass pass 8FQY pass pass pass X-RAY DIFFRACTION 1.466 0.1686 N8A C14 H16 N4 O4 S 336.366 0.7774741 Ki = 331.0 pass pass pass pass 8FQZ pass pass pass X-RAY DIFFRACTION 1.467 0.1644 N7S C11 H17 N3 O5 S 303.333 0.7618534 Ki = 75.9 pass pass pass pass 8FR3 pass pass pass X-RAY DIFFRACTION 2.23 0.2449 Y7C C11 H12 Cl N5 O 265.701 0.51083737 Kd = 1600.0 pass pass pass pass 8FU5 pass pass pass X-RAY DIFFRACTION 2.01 0.1707 PIT C14 H12 O4 244.246 0.97677861 Kd = 50.0 pass pass pass pass 8FUI pass pass pass X-RAY DIFFRACTION 1.25 0.13898 Y9R C37 H41 N7 O4 S 679.84 0.83368327 Ki = 0.17 pass pass pass pass 8FUJ pass pass pass X-RAY DIFFRACTION 1.12 0.1206 Y9N C38 H40 F2 N6 O5 S 730.831 0.81840351 Ki = 0.58 pass pass pass pass 8FV2 pass pass pass X-RAY DIFFRACTION 1.87 0.1897 JHL C30 H32 F2 N4 O3 534.607 0.60822766 Kd = 4.0 pass pass pass pass 8FVF pass pass pass X-RAY DIFFRACTION 2.1 0.1813 JHL C30 H32 F2 N4 O3 534.607 0.60434202 Kd = 25.5 pass pass pass pass 8FVK pass pass pass X-RAY DIFFRACTION 1.53 0.1608 JHL C30 H32 F2 N4 O3 534.607 0.65581541 Kd = 403.0 pass pass pass pass 8FVS pass pass pass X-RAY DIFFRACTION 1.75 0.1524 YBE C28 H37 N5 O4 507.635 0.68329094 Kd = 1550.0 pass pass pass pass 8FW0 pass pass pass X-RAY DIFFRACTION 2.37 0.1916 EST C18 H24 O2 272.388 0.93579701 Kd = 1670.0 pass pass pass pass 8FXA pass pass pass X-RAY DIFFRACTION 1.65 0.1458 YJY C32 H32 F6 N4 O3 634.621 0.63905502 Kd = 116.0 pass pass pass pass 8FXE pass pass pass X-RAY DIFFRACTION 1.55 0.156 YID C34 H42 N4 O3 554.735 0.55224783 Kd = 30.0 pass pass pass pass 8FXO pass pass pass X-RAY DIFFRACTION 1.74 0.1762 YN5 C32 H36 N4 O5 556.663 0.61953639 Kd = 16.9 pass pass pass pass 8G43 pass pass pass X-RAY DIFFRACTION 1.55 0.16074 ZU6 C14 H15 N3 O4 289.291 0.73116388 Kd = 14000.0 pass pass pass pass 8G44 pass pass pass X-RAY DIFFRACTION 1.55 0.16425 ZU9 C20 H19 N3 O4 365.389 0.78747394 Kd = 620.0 pass pass pass pass 8GA2 pass pass pass X-RAY DIFFRACTION 1.85 0.1905 YVK C30 H34 N4 O3 498.627 0.62550299 Kd = 31.4 pass pass pass pass 8GB1 pass pass pass X-RAY DIFFRACTION 2.46 0.1923 YWI C26 H28 Br N6 O8 P 663.422 0.780895 Kd = 5200.0 pass pass pass pass 8GD2 pass pass pass X-RAY DIFFRACTION 1.13 0.1621 Z5H C21 H25 N3 O S 367.511 0.99101393 Ki = 9000.0 pass pass pass pass 8GDM pass pass pass X-RAY DIFFRACTION 1.8 0.1833 ZA6 C23 H23 N3 O S 389.517 0.98245234 Ki = 10600.0 pass pass pass pass 8GEM pass pass pass X-RAY DIFFRACTION 1.55 0.2138 ZDF C22 H29 N5 O 379.508 0.99047335 Ki = 7100.0 pass pass pass pass 8GEU pass pass pass X-RAY DIFFRACTION 1.47 0.1822 ZCF C21 H27 N5 O 365.481 0.98950248 Ki = 10700.0 pass pass pass pass 8GEV pass pass pass X-RAY DIFFRACTION 1.85 0.1861 ZDK C23 H27 N3 O2 377.488 0.99040164 Ki = 8300.0 pass pass pass pass 8GEY pass pass pass X-RAY DIFFRACTION 1.3 0.163 ZE2 C17 H25 N O5 S 355.449 0.98659822 Ki = 9500.0 pass pass pass pass 8GFR pass pass pass X-RAY DIFFRACTION 2.0 0.1634 ZGO C33 H54 N6 O6 S 662.891 0.75821105 Kd = 2300.0 pass pass pass pass 8GGG pass pass pass X-RAY DIFFRACTION 1.86 0.2152 ZF9 C10 H19 N5 O22 P6 747.119 0.59658047 Ki = 3600.0 pass pass pass pass 8GY9 pass pass pass X-RAY DIFFRACTION 2.3 0.1915 SAM C15 H22 N6 O5 S 398.438 0.83721615 Kd = 12500.0 pass pass pass pass 8GYA pass pass pass X-RAY DIFFRACTION 2.005 0.1979 SFG C15 H23 N7 O5 381.393 0.83004957 Kd = 12600.0 pass pass pass pass 8GYB pass pass pass X-RAY DIFFRACTION 2.101 0.2099 SAH C14 H20 N6 O5 S 384.411 0.86828813 Kd = 12700.0 pass pass pass pass 8H59 pass pass pass X-RAY DIFFRACTION 2.15 0.1772 KR9 C29 H24 F3 N5 O4 563.536 0.88484168 Kd = 69200.0 pass pass pass pass 8H7I pass pass pass X-RAY DIFFRACTION 2.4 0.194 WYN C12 H15 N2 O3 P S 298.297 0.94097233 Kd = 14.3 pass pass pass pass 8H7M pass pass pass X-RAY DIFFRACTION 1.87 0.1836 WYS C10 H14 N O5 P S 291.258 0.91853867 Kd = 16.7 pass pass pass pass 8H7R pass pass pass X-RAY DIFFRACTION 2.0 0.2243 WZ0 C14 H16 Cl O5 P S 362.761 0.84601385 Kd = 174.0 pass pass pass pass 8HE1 pass pass pass X-RAY DIFFRACTION 1.61 0.1646 BHO C7 H7 N O2 137.138 0.77685153 Ki = 9830.0 pass pass pass pass 8HE2 pass pass pass X-RAY DIFFRACTION 1.61 0.1573 LMI C16 H23 N3 O5 337.376 0.52143338 Ki = 10750.0 pass pass pass pass 8HE4 pass pass pass X-RAY DIFFRACTION 1.93 0.1729 8GK C11 H9 N O2 187.198 0.67526836 Ki = 27580.0 pass pass pass pass 8HE7 pass pass pass X-RAY DIFFRACTION 2.1 0.1903 1WI C25 H27 F N4 O4 466.513 0.91328323 Kd = 0.83 pass pass pass pass 8HJA pass pass pass X-RAY DIFFRACTION 2.38 0.22445 C2E C20 H24 N10 O14 P2 690.416 0.73093178 Kd = 1680.0 pass pass pass pass 8HOG pass pass pass X-RAY DIFFRACTION 1.8 0.2164 98I C49 H59 N7 O7 S 890.113 0.64709837 Kd = 0.046 pass pass pass pass 8HOH pass pass pass X-RAY DIFFRACTION 1.9 0.2271 98I C49 H59 N7 O7 S 890.113 0.663972 Kd = 0.24 pass pass pass pass 8HOI pass pass pass X-RAY DIFFRACTION 2.25 0.2359 98I C49 H59 N7 O7 S 890.113 0.79589219 Kd = 0.52 pass pass pass pass 8HQQ pass pass pass X-RAY DIFFRACTION 1.86 0.2037 BGC C6 H12 O6 180.156 0.99813301 Kd = 238.0 pass pass pass pass 8HQR pass pass pass X-RAY DIFFRACTION 1.32 0.1489 ARG C6 H15 N4 O2 175.212 0.99701264 Kd = 0.032 pass pass pass pass 8HY5 pass pass pass X-RAY DIFFRACTION 2.1 0.2068 BEZ C7 H6 O2 122.123 0.88438215 Kd = 3010000.0 pass pass pass pass 8HY9 pass pass pass X-RAY DIFFRACTION 1.462 0.1813 C2E C20 H24 N10 O14 P2 690.416 0.54307189 Kd = 0.1 pass pass pass pass 8I2A pass pass pass X-RAY DIFFRACTION 2.35 0.21429 5OB C8 H8 N2 O 148.165 1.0 Kd = 26100.0 pass pass pass pass 8I4I pass pass pass X-RAY DIFFRACTION 2.2 0.20679 TRP C11 H12 N2 O2 204.229 0.86666751 Kd = 37600.0 pass pass pass pass 8IDH pass pass pass X-RAY DIFFRACTION 1.57 0.2214 OWO C18 H16 F N5 321.359 0.64944377 Ki = 92.0 pass pass pass pass 8IG1 pass pass pass X-RAY DIFFRACTION 1.451 0.17 OX9 C19 H11 Cl2 I2 N O3 626.009 0.48938779 Kd = 3600.0 pass pass pass pass 8II0 pass pass pass X-RAY DIFFRACTION 2.04 0.2048 P5I C17 H12 Cl N3 O5 373.749 0.79346284 Kd = 99.7 pass pass pass pass 8IPK pass pass pass X-RAY DIFFRACTION 1.9 0.1823 SAM C15 H22 N6 O5 S 398.438 0.94890334 Kd = 2990.0 pass pass pass pass 8IV3 pass pass pass X-RAY DIFFRACTION 1.9 0.2371 DJU C18 H20 N2 O 280.371 0.73427106 Kd = 47070.0 pass pass pass pass 8IX9 pass pass pass X-RAY DIFFRACTION 2.198 0.1763 NDP C21 H30 N7 O17 P3 745.425 0.90787408 Kd = 7680.0 pass pass pass pass 8IXH pass pass pass X-RAY DIFFRACTION 1.95 0.1971 1QQ C6 H10 O3 130.143 0.97615688 Kd = 15410.0 pass pass pass pass 8IXZ pass pass pass X-RAY DIFFRACTION 2.33 0.2307 4UR C20 H24 N10 O13 P2 674.417 0.97426432 Kd = 297.7 pass pass pass pass 8J2V pass pass pass X-RAY DIFFRACTION 2.0 0.1937 T83 C10 H8 O4 192.17 0.87888632 Kd = 4500.0 pass pass pass pass 8J2W pass pass pass X-RAY DIFFRACTION 1.7 0.18286 BLA C33 H34 N4 O6 582.657 0.82409684 Kd = 700.0 pass pass pass pass 8J40 pass pass pass X-RAY DIFFRACTION 1.57 0.1561 CLM C11 H12 Cl2 N2 O5 323.126 0.53321444 Kd = 250300.0 pass pass pass pass 8J4H pass pass pass X-RAY DIFFRACTION 2.01 0.15896 TO9 C9 H10 O5 198.174 0.66998909 Kd = 900.0 pass pass pass pass 8JBN pass pass pass X-RAY DIFFRACTION 1.99 0.1693 U7C C12 H8 N2 O3 228.207 0.86598744 Kd = 39000.0 pass pass pass pass 8JIG pass pass pass X-RAY DIFFRACTION 2.4 0.2076 8JA C12 H18 N4 O5 298.299 0.46381832 Kd = 440.0 pass pass pass pass 8JJQ pass pass pass X-RAY DIFFRACTION 1.64 0.17595 UD2 C17 H27 N3 O17 P2 607.355 0.96701095 Kd = 390.0 pass pass pass pass 8JJT pass pass pass X-RAY DIFFRACTION 1.88 0.1865 UD1 C17 H27 N3 O17 P2 607.355 0.97304404 Kd = 82.0 pass pass pass pass 8JUC pass pass pass X-RAY DIFFRACTION 1.54 0.2179 V23 C8 H6 F3 N3 O 217.15 0.7408423 Kd = 3200000.0 pass pass pass pass 8JZG pass pass pass X-RAY DIFFRACTION 2.39 0.19374 SAM C15 H22 N6 O5 S 398.438 0.77780355 Ki = 24000.0 pass pass pass pass 8K62 pass pass pass X-RAY DIFFRACTION 1.991 0.2043 IAU C16 H11 F3 N4 O4 380.282 0.91399725 Kd = 112.0 pass pass pass pass 8K6D pass pass pass X-RAY DIFFRACTION 1.65 0.1625 J7R C24 H24 Br N5 O4 526.391 0.71171432 Kd = 209.0 pass pass pass pass 8K9X pass pass pass X-RAY DIFFRACTION 2.35 0.2297 JUA C26 H36 N8 O5 S 572.685 0.89033093 Kd = 12.4 pass pass pass pass 8OIA pass pass pass X-RAY DIFFRACTION 2.3 0.234 RIB C5 H10 O5 150.13 0.97865819 Kd = 5200000.0 pass pass pass pass 8OUV pass pass pass X-RAY DIFFRACTION 1.783 0.1912 W3R C19 H16 N4 O2 332.363 0.9938327 Kd = 90.0 pass pass pass pass 8OVZ pass pass pass X-RAY DIFFRACTION 2.206 0.2245 W3N C22 H18 N6 O2 398.426 0.98804269 Kd = 510.0 pass pass pass pass 8OWO pass pass pass X-RAY DIFFRACTION 1.8 0.1606 9W9 C7 H5 N O 119.123 0.46417201 Kd = 17900.0 pass pass pass pass 8OYG pass pass pass X-RAY DIFFRACTION 2.3 0.2261 PAF C6 H11 O4 147.15 0.98754261 Kd = 127000.0 pass pass pass pass 8P01 pass pass pass X-RAY DIFFRACTION 2.094 0.2401 W78 C20 H22 F N9 O10 P2 S2 693.515 0.58966869 Kd = 1.5 pass pass pass pass 8P0E pass pass pass X-RAY DIFFRACTION 1.59 0.1919 APR C15 H23 N5 O14 P2 559.318 0.88813086 Kd = 58100.0 pass pass pass pass 8P3C pass pass pass X-RAY DIFFRACTION 2.02 0.19398 WRX C28 H30 F2 N4 O4 S 556.628 0.65755925 Kd = 19.0 pass pass pass pass 8P3D pass pass pass X-RAY DIFFRACTION 1.71 0.1816 WS5 C25 H33 F N4 O4 S 504.621 0.68269635 Kd = 432.0 pass pass pass pass 8P8P pass pass pass X-RAY DIFFRACTION 1.9 0.1544 X7I C23 H23 N7 O5 477.481 0.81262813 Ki = 132.0 pass pass pass pass 8PA6 pass pass pass X-RAY DIFFRACTION 1.58 0.1474 XKB C23 H24 N8 O5 492.496 0.79118756 Ki = 1140.0 pass pass pass pass 8PA9 pass pass pass X-RAY DIFFRACTION 1.5 0.149 XKF C24 H26 N8 O5 506.523 0.72620798 Ki = 6310.0 pass pass pass pass 8PAF pass pass pass X-RAY DIFFRACTION 2.1 0.1357 XKK C23 H24 N8 O7 S 556.554 0.78846115 Ki = 1430.0 pass pass pass pass 8PAI pass pass pass X-RAY DIFFRACTION 1.8 0.1494 XKO C24 H26 N8 O7 S 570.581 0.69366465 Ki = 730.0 pass pass pass pass 8PBO pass pass pass X-RAY DIFFRACTION 1.85 0.1707 Y5I C21 H20 F2 N2 O4 S 434.457 0.9534499 Kd = 800.0 pass pass pass pass 8PD1 pass pass pass X-RAY DIFFRACTION 1.87 0.15773 YHU C7 H11 N3 O 153.185 0.94284442 Kd = 480000.0 pass pass pass pass 8PD6 pass pass pass X-RAY DIFFRACTION 1.3 0.13866 YCB C25 H34 N6 418.589 0.54898282 Kd = 24000.0 pass pass pass pass 8PFZ pass pass pass X-RAY DIFFRACTION 1.78 0.18778 YQI C8 H11 N3 O3 197.194 0.97263233 Kd = 840000.0 pass pass pass pass 8PH4 pass pass pass X-RAY DIFFRACTION 1.69 0.2226 YQN C28 H33 N5 O4 503.603 0.60441282 Kd = 82600.0 pass pass pass pass 8PHI pass pass pass X-RAY DIFFRACTION 2.289 0.1984 336 C27 H31 Br2 Cl N4 O2 638.829 0.31965051 Kd = 180000.0 pass pass pass pass 8PJ0 pass pass pass X-RAY DIFFRACTION 1.7 0.162 ZHX C16 H21 N3 O2 287.363 0.95718527 Kd = 35000.0 pass pass pass pass 8PM8 pass pass pass X-RAY DIFFRACTION 1.57 0.1919 TCW C14 H11 N O5 273.244 0.58254417 Kd = 440.0 pass pass pass pass 8PM9 pass pass pass X-RAY DIFFRACTION 1.85 0.1932 ZP2 C14 H10 F N O6 307.233 0.57213235 Kd = 16.0 pass pass pass pass 8PMA pass pass pass X-RAY DIFFRACTION 1.2 0.1858 ZP2 C14 H10 F N O6 307.233 0.57150903 Kd = 36.0 pass pass pass pass 8PMO pass pass pass X-RAY DIFFRACTION 1.24 0.1901 ZP2 C14 H10 F N O6 307.233 0.58841092 Kd = 14.0 pass pass pass pass 8PQR pass pass pass X-RAY DIFFRACTION 1.586 0.1701 DIH C12 H17 N4 O3 265.293 0.97586885 Kd = 9.0 pass pass pass pass 8PY0 pass pass pass X-RAY DIFFRACTION 1.75 0.1883 FMT C H2 O2 46.025 1.0 Kd = 63000.0 pass pass pass pass 8Q2R pass pass pass X-RAY DIFFRACTION 1.6 0.2083 ITJ C7 H8 Cl N5 197.626 0.9706488 Kd = 146.0 pass pass pass pass 8QB6 pass pass pass X-RAY DIFFRACTION 1.51 0.1534 GC2 C10 H18 N2 O4 230.264 0.84887476 Kd = 6000.0 pass pass pass pass 8QCE pass pass pass X-RAY DIFFRACTION 1.05 0.1474 GC2 C10 H18 N2 O4 230.264 0.85222022 Kd = 1120000.0 pass pass pass pass 8QDG pass pass pass X-RAY DIFFRACTION 1.392 0.1521 SDU C18 H28 N8 O5 436.473 0.98380043 Kd = 6.0 pass pass pass pass 8QH8 pass pass pass X-RAY DIFFRACTION 1.04 0.11847 V8I C7 H5 Cl2 N O4 S 270.08 0.8586785 Ki = 0.33 pass pass pass pass 8QHG pass pass pass X-RAY DIFFRACTION 1.91 0.1924 V8I C7 H5 Cl2 N O4 S 270.08 0.84880662 Ki = 1.59 pass pass pass pass 8QHJ pass pass pass X-RAY DIFFRACTION 1.62 0.18312 V8I C7 H5 Cl2 N O4 S 270.08 0.8435831 Ki = 7.54 pass pass pass pass 8QJ8 pass pass pass X-RAY DIFFRACTION 1.538 0.2101 VIW C18 H15 N3 O2 305.337 0.87452061 Kd = 3400.0 pass pass pass pass 8QM5 pass pass pass X-RAY DIFFRACTION 1.889 0.1943 W4U C12 H13 Cl O2 224.684 0.97260074 Kd = 7400000.0 pass pass pass pass 8QMU pass pass pass X-RAY DIFFRACTION 2.0 0.16384 KDH C22 H18 O11 458.375 0.70598085 Ki = 49800.0 pass pass pass pass 8QRD pass pass pass X-RAY DIFFRACTION 2.3 0.1653 TES C19 H28 O2 288.431 0.72687329 Kd = 41600.0 pass pass pass pass 8QUB pass pass pass X-RAY DIFFRACTION 1.63 0.18961 WVZ C15 H13 N O 223.275 0.80366218 Ki = 199526.2314968879 pass pass pass pass 8QUH pass pass pass X-RAY DIFFRACTION 1.55 0.17802 AJ2 C10 H9 N O 159.188 0.83607477 Ki = 501187.2336272725 pass pass pass pass 8QUJ pass pass pass X-RAY DIFFRACTION 1.63 0.177 WWR C10 H10 N2 O 174.203 0.81591726 Ki = 316227.7660168379 pass pass pass pass 8QUK pass pass pass X-RAY DIFFRACTION 1.38 0.17659 WVU C12 H14 N2 O3 234.255 0.8131024 Ki = 398107.1705534969 pass pass pass pass 8QUL pass pass pass X-RAY DIFFRACTION 1.67 0.175 3IP C12 H12 N2 O 200.241 0.82434013 Ki = 398107.1705534969 pass pass pass pass 8QUW pass pass pass X-RAY DIFFRACTION 2.02 0.18926 WZR C15 H13 N O2 239.274 0.78636572 Ki = 19952.62314968879 pass pass pass pass 8QUX pass pass pass X-RAY DIFFRACTION 2.3 0.20131 S0I C15 H14 N2 O 238.29 0.7763064 Ki = 25118.864315095823 pass pass pass pass 8QV1 pass pass pass X-RAY DIFFRACTION 2.2 0.221 X0H C12 H11 N O3 217.224 0.82988192 Ki = 19952.62314968879 pass pass pass pass 8QV9 pass pass pass X-RAY DIFFRACTION 1.76 0.20035 WZL C14 H11 Br N2 O 303.159 0.83794814 Ki = 5011.872336272725 pass pass pass pass 8QVA pass pass pass X-RAY DIFFRACTION 2.0 0.20254 WZ9 C14 H13 N3 O 239.278 0.83652815 Ki = 5011.872336272725 pass pass pass pass 8QYI pass pass pass X-RAY DIFFRACTION 2.3 0.17322 4OA C24 H40 O3 376.581 0.78193556 Kd = 16300.0 pass pass pass pass 8R41 pass pass pass X-RAY DIFFRACTION 2.25 0.2054 XUF C19 H26 Br N3 O S 424.401 0.8766821 Kd = 35000.0 pass pass pass pass 8R42 pass pass pass X-RAY DIFFRACTION 2.32 0.2047 XUC C21 H26 Cl N3 355.91 0.92246606 Kd = 18000.0 pass pass pass pass 8R52 pass pass pass X-RAY DIFFRACTION 2.1 0.15107 EGT C15 H14 O7 306.27 0.79618563 Ki = 285500.0 pass pass pass pass 8R5K pass pass pass X-RAY DIFFRACTION 0.89 0.14363 Y6Z C37 H57 N O10 675.86 0.55359966 Kd = 6.7 pass pass pass pass 8R5N pass pass pass X-RAY DIFFRACTION 1.812 0.1781 ATP C10 H16 N5 O13 P3 507.182 0.69863326 Kd = 659000.0 pass pass pass pass 8R74 pass pass pass X-RAY DIFFRACTION 1.54 0.1752 YBC C17 H16 Cl2 N4 O5 S2 491.358 0.63300498 Kd = 337.0 pass pass pass pass 8R7O pass pass pass X-RAY DIFFRACTION 1.36 0.168 YGC C10 H15 F N5 O12 P3 509.173 0.57020931 Kd = 15000.0 pass pass pass pass 8RD0 pass pass pass X-RAY DIFFRACTION 1.765 0.1967 51X C10 H7 N O4 205.169 0.76588624 Kd = 1763000.0 pass pass pass pass 8RD1 pass pass pass X-RAY DIFFRACTION 1.896 0.179 YP2 C11 H7 N O6 249.178 0.78083573 Kd = 202000.0 pass pass pass pass 8RD7 pass pass pass X-RAY DIFFRACTION 1.31 0.1477 AR6 C15 H23 N5 O14 P2 559.318 0.57826503 Kd = 31000.0 pass pass pass pass 8S4J pass pass pass X-RAY DIFFRACTION 1.7 0.1902 GLU C5 H9 N O4 147.13 0.9849179 Kd = 65.0 pass pass pass pass 8S53 pass pass pass X-RAY DIFFRACTION 1.6 0.1562 3QO C12 H11 N 169.227 0.90875952 Kd = 180000.0 pass pass pass pass 8S96 pass pass pass X-RAY DIFFRACTION 1.68 0.211 ZSF C10 H20 N5 O25 P7 827.098 0.57518153 Ki = 2600.0 pass pass pass pass 8S98 pass pass pass X-RAY DIFFRACTION 1.87 0.22454 ZRU C17 H19 N7 O2 353.386 0.87527015 Kd = 0.039 pass pass pass pass 8S99 pass pass pass X-RAY DIFFRACTION 1.71 0.19004 ZS3 C21 H18 F2 N8 O2 452.425 0.80314263 Kd = 0.068 pass pass pass pass 8S9A pass pass pass X-RAY DIFFRACTION 1.83 0.18488 ZSB C23 H24 N8 O3 460.498 0.80143979 Kd = 0.0038 pass pass pass pass 8SKO pass pass pass X-RAY DIFFRACTION 1.3 0.19881 X8Z C9 H15 N O3 S 217.283 0.83499096 Ki = 210000.0 pass pass pass pass 8SKP pass pass pass X-RAY DIFFRACTION 1.3 0.20243 WAF C6 H5 N O3 S 171.17 0.92357697 Ki = 120.0 pass pass pass pass 8SLO pass pass pass X-RAY DIFFRACTION 1.55 0.1712 BYW C18 H17 F3 N2 O4 382.338 0.86007671 Ki = 211.0 pass pass pass pass 8SPN pass pass pass X-RAY DIFFRACTION 1.73 0.17369 7TN C17 H14 N2 O6 S 374.367 0.65501251 Ki = 16000.0 pass pass pass pass 8SWS pass pass pass X-RAY DIFFRACTION 1.99 0.1943 IM5 C12 H17 N5 O3 279.3 0.97691287 Kd = 3700.0 pass pass pass pass 8SZM pass pass pass X-RAY DIFFRACTION 2.35 0.2035 X3O C25 H21 F9 N3 O2 P S 629.478 0.77811454 Kd = 270.0 pass pass pass pass 8SZN pass pass pass X-RAY DIFFRACTION 2.33 0.2218 X3O C25 H21 F9 N3 O2 P S 629.478 0.79212923 Kd = 690.0 pass pass pass pass 8T2H pass pass pass X-RAY DIFFRACTION 1.85 0.16329 XIR C23 H24 F N7 417.492 0.81358365 Kd = 0.91 pass pass pass pass 8T5G pass pass pass X-RAY DIFFRACTION 1.92 0.19835 THA C13 H14 N2 198.269 0.8347592 Kd = 550000.0 pass pass pass pass 8T5W pass pass pass X-RAY DIFFRACTION 1.65 0.2019 E4Z C24 H19 F2 N3 O4 S 483.489 0.7351604 Kd = 9300.0 pass pass pass pass 8T6F pass pass pass X-RAY DIFFRACTION 1.56 0.1883 YI7 C39 H44 Cl F N4 O5 703.252 0.75244529 Kd = 0.3 pass pass pass pass 8T9V pass pass pass X-RAY DIFFRACTION 1.945 0.1765 ZJT C13 H9 F O2 S 248.271 0.76601337 Ki = 4000.0 pass pass pass pass 8TAB pass pass pass X-RAY DIFFRACTION 2.26 0.1857 U4T C13 H10 O2 S 230.281 0.74905975 Ki = 8000.0 pass pass pass pass 8TAW pass pass pass X-RAY DIFFRACTION 1.73 0.1517 PQS C12 H9 N O2 199.209 0.85952271 Kd = 100.0 pass pass pass pass 8TBF pass pass pass X-RAY DIFFRACTION 1.5 0.1778 ZNI C47 H60 N8 O6 S 865.107 0.830658 Kd = 116.0 pass pass pass pass 8TBG pass pass pass X-RAY DIFFRACTION 1.2 0.1606 ZNI C47 H60 N8 O6 S 865.107 0.83824071 Kd = 94.7 pass pass pass pass 8TBH pass pass pass X-RAY DIFFRACTION 1.5 0.1959 ZNI C47 H60 N8 O6 S 865.107 0.83436098 Kd = 271.0 pass pass pass pass 8TBI pass pass pass X-RAY DIFFRACTION 1.59 0.1806 ZNI C47 H60 N8 O6 S 865.107 0.82725938 Kd = 101.0 pass pass pass pass 8TBJ pass pass pass X-RAY DIFFRACTION 1.45 0.1853 ZNI C47 H60 N8 O6 S 865.107 0.80307678 Kd = 342.0 pass pass pass pass 8TBK pass pass pass X-RAY DIFFRACTION 1.26 0.1462 ZNI C47 H60 N8 O6 S 865.107 0.8309587 Kd = 40.3 pass pass pass pass 8TBL pass pass pass X-RAY DIFFRACTION 1.88 0.1714 ZNI C47 H60 N8 O6 S 865.107 0.80839157 Kd = 317.0 pass pass pass pass 8TBM pass pass pass X-RAY DIFFRACTION 1.57 0.1782 ZNI C47 H60 N8 O6 S 865.107 0.81882984 Kd = 84.8 pass pass pass pass 8TBN pass pass pass X-RAY DIFFRACTION 1.46 0.1529 ZNI C47 H60 N8 O6 S 865.107 0.82499166 Kd = 128.0 pass pass pass pass 8TCE pass pass pass X-RAY DIFFRACTION 1.07 0.16099 HWF C13 H17 N O2 219.284 0.57952217 Kd = 756.0 pass pass pass pass 8TD4 pass pass pass X-RAY DIFFRACTION 1.76 0.1729 UJD C4 H6 O2 S2 150.21 0.82794641 Ki = 40000.0 pass pass pass pass 8TD8 pass pass pass X-RAY DIFFRACTION 1.71 0.1679 G8I C6 H12 O3 132.159 0.82115649 Ki = 800000.0 pass pass pass pass 8TD9 pass pass pass X-RAY DIFFRACTION 1.75 0.1819 YCP C6 H11 N O2 129.159 0.8522035 Ki = 1700000.0 pass pass pass pass 8TDC pass pass pass X-RAY DIFFRACTION 1.8 0.1938 GIW C5 H8 O2 S2 164.237 0.82637312 Ki = 900000.0 pass pass pass pass 8TE9 pass pass pass X-RAY DIFFRACTION 1.25 0.1461 8X3 C2 H6 O4 S 126.126 1.0 Kd = 950.0 pass pass pass pass 8TN6 pass pass pass X-RAY DIFFRACTION 1.36 0.1952 RPB C19 H18 F N3 O 323.371 0.8783986 Kd = 0.37 pass pass pass pass 8TNB pass pass pass X-RAY DIFFRACTION 1.4 0.2181 IQM C17 H15 F N2 O2 298.317 0.90613559 Kd = 350.0 pass pass pass pass 8TNC pass pass pass X-RAY DIFFRACTION 1.4 0.202 3JD C19 H20 N4 O 320.396 0.91388736 Kd = 550.0 pass pass pass pass 8TPV pass pass pass X-RAY DIFFRACTION 2.27 0.1721 JEI C15 H24 N6 O9 P2 494.338 0.76349768 Ki = 3.0 pass pass pass pass 8TQF pass pass pass X-RAY DIFFRACTION 1.69 0.1841 S8R C25 H30 N8 O10 602.561 0.75516461 Kd = 20000.0 pass pass pass pass 8TS4 pass pass pass X-RAY DIFFRACTION 2.2 0.1708 KFF C15 H24 N6 O9 P2 494.338 0.80374893 Ki = 70.0 pass pass pass pass 8TTR pass pass pass X-RAY DIFFRACTION 1.45 0.1629 LGO C22 H20 N6 O5 S2 512.559 0.74716592 Ki = 24.3 pass pass pass pass 8TYP pass pass pass X-RAY DIFFRACTION 1.8 0.1854 SQT C16 H19 N5 281.363 0.85038076 Kd = 9800.0 pass pass pass pass 8U0H pass pass pass X-RAY DIFFRACTION 1.93 0.1726 UB0 C46 H49 Cl N6 O12 S2 977.498 0.62314879 Kd = 85.0 pass pass pass pass 8U19 pass pass pass X-RAY DIFFRACTION 1.26 0.1463 3DM C8 H10 O3 154.165 0.87079944 Kd = 16000.0 pass pass pass pass 8U1I pass pass pass X-RAY DIFFRACTION 1.12 0.1374 UB9 C9 H12 O3 168.192 0.86890128 Kd = 7200.0 pass pass pass pass 8U2D pass pass pass X-RAY DIFFRACTION 1.95 0.1905 UQX C31 H30 N6 O3 534.62 0.85562613 Kd = 11.0 pass pass pass pass 8U8J pass pass pass X-RAY DIFFRACTION 2.1 0.1773 WAL C19 H22 N8 362.441 0.8887381 Ki = 0.03 pass pass pass pass 8U8K pass pass pass X-RAY DIFFRACTION 2.1 0.1741 W8U C21 H20 Cl N7 O 421.889 0.87090932 Ki = 0.05 pass pass pass pass 8UC9 pass pass pass X-RAY DIFFRACTION 2.44 0.2141 QBC C9 H7 Cl N2 178.619 0.82738661 Kd = 330000.0 pass pass pass pass 8UFW pass pass pass X-RAY DIFFRACTION 1.215 0.1129 WJN C14 H12 F3 N3 O3 S 359.322 0.68931649 Ki = 6.2 pass pass pass pass 8UFX pass pass pass X-RAY DIFFRACTION 1.212 0.1243 WJN C14 H12 F3 N3 O3 S 359.322 0.63387746 Ki = 9.7 pass pass pass pass 8UGU pass pass pass X-RAY DIFFRACTION 2.34 0.165 59E C23 H21 N5 O3 415.453 0.83973217 Kd = 61.0 pass pass pass pass 8UGV pass pass pass X-RAY DIFFRACTION 1.99 0.1761 WNX C23 H21 N5 O3 415.453 0.70030925 Kd = 93.0 pass pass pass pass 8UJY pass pass pass X-RAY DIFFRACTION 2.01 0.1884 VV3 C30 H31 F N4 O4 530.6 0.82323263 Ki = 0.023 pass pass pass pass 8UPZ pass pass pass X-RAY DIFFRACTION 1.38 0.1638 X79 C5 H6 O2 S 130.161 0.90258902 Ki = 1030000.0 pass pass pass pass 8UQ0 pass pass pass X-RAY DIFFRACTION 1.43 0.1609 X7K C4 H5 N O2 S 131.149 0.89325288 Ki = 7000000.0 pass pass pass pass 8UQ1 pass pass pass X-RAY DIFFRACTION 1.41 0.1796 X7Q C5 H8 O2 S 132.177 0.90426184 Ki = 8000000.0 pass pass pass pass 8UQH pass pass pass X-RAY DIFFRACTION 1.87 0.214 X9L C19 H23 Br N6 O3 S 495.396 0.95348827 Kd = 188.0 pass pass pass pass 8UX2 pass pass pass X-RAY DIFFRACTION 1.87 0.192 NAD C21 H27 N7 O14 P2 663.43 0.73846364 Kd = 123000.0 pass pass pass pass 8V17 pass pass pass X-RAY DIFFRACTION 1.5 0.142 Y4X C27 H22 F2 N4 O3 S 520.554 0.62276594 Kd = 24.6 pass pass pass pass 8V2F pass pass pass X-RAY DIFFRACTION 2.09 0.16814 YJU C24 H27 F3 N4 O3 476.499 0.84192453 Kd = 0.37 pass pass pass pass 8V5C pass pass pass X-RAY DIFFRACTION 1.96 0.1886 DXC C24 H40 O4 392.58 0.67591129 Kd = 6200.0 pass pass pass pass 8V5E pass pass pass X-RAY DIFFRACTION 2.2 0.197 DXC C24 H40 O4 392.58 0.62468122 Kd = 5000.0 pass pass pass pass 8V66 pass pass pass X-RAY DIFFRACTION 1.9 0.1898 YGZ C10 H17 N7 O7 S 379.348 0.72428785 Kd = 1.8 pass pass pass pass 8V68 pass pass pass X-RAY DIFFRACTION 1.9 0.1968 YGF C9 H16 N6 O3 256.266 0.69748524 Kd = 11.3 pass pass pass pass 8V6W pass pass pass X-RAY DIFFRACTION 1.95 0.16204 YHE C18 H15 N O3 293.322 0.85107023 Kd = 11.0 pass pass pass pass 8V8E pass pass pass X-RAY DIFFRACTION 2.0 0.1487 7YY C22 H17 Cl F3 N9 O2 531.883 0.8853116 Kd = 4600.0 pass pass pass pass 8V9W pass pass pass X-RAY DIFFRACTION 1.68 0.1981 7V7 C22 H28 N2 O 336.479 0.7517489 Kd = 1100000.0 pass pass pass pass 8V9X pass pass pass X-RAY DIFFRACTION 1.55 0.1867 7V7 C22 H28 N2 O 336.479 0.69345593 Kd = 1100000.0 pass pass pass pass 8VA0 pass pass pass X-RAY DIFFRACTION 1.85 0.2026 7V7 C22 H28 N2 O 336.479 0.75144875 Kd = 86500.0 pass pass pass pass 8VEO pass pass pass X-RAY DIFFRACTION 2.03 0.2392 MTA C11 H15 N5 O3 S 297.333 0.9798762 Ki = 250.0 pass pass pass pass 8VG8 pass pass pass X-RAY DIFFRACTION 1.33 0.10507 7L9 C14 H9 N O6 287.227 0.81812319 Ki = 36400.0 pass pass pass pass 8VKF pass pass pass X-RAY DIFFRACTION 1.7 0.1755 LVK C10 H10 O3 178.187 0.86418306 Kd = 9100.0 pass pass pass pass 8VL0 pass pass pass X-RAY DIFFRACTION 1.837 0.1828 LVC C10 H10 O3 178.187 0.87420854 Kd = 80000.0 pass pass pass pass 8VOK pass pass pass X-RAY DIFFRACTION 1.538 0.1622 PHB C7 H6 O3 138.122 0.85407738 Kd = 458000.0 pass pass pass pass 8VOT pass pass pass X-RAY DIFFRACTION 1.529 0.1368 E5X C8 H8 O3 152.149 0.86590381 Kd = 85000.0 pass pass pass pass 8W4B pass pass pass X-RAY DIFFRACTION 2.152 0.1984 STR C21 H30 O2 314.469 0.96702865 Kd = 940.0 pass pass pass pass 8W8L pass pass pass X-RAY DIFFRACTION 1.824 0.2112 W20 C19 H17 F2 N5 O3 S 433.433 0.93420163 Kd = 0.399 pass pass pass pass 8W9I pass pass pass X-RAY DIFFRACTION 2.45 0.2141 W2H C19 H19 N5 O3 S 397.453 0.90615891 Kd = 21.9 pass pass pass pass 8WGS pass pass pass X-RAY DIFFRACTION 1.801 0.1867 WGH C17 H11 I3 O3 643.984 0.53714789 Kd = 120.0 pass pass pass pass 8WGT pass pass pass X-RAY DIFFRACTION 1.696 0.2027 WGJ C17 H10 Cl2 I2 O3 586.972 0.52086044 Kd = 53.0 pass pass pass pass 8WNG pass pass pass X-RAY DIFFRACTION 1.92 0.1847 ILE C6 H13 N O2 131.175 0.86188713 Kd = 13900.0 pass pass pass pass 8WR2 pass pass pass X-RAY DIFFRACTION 1.94 0.1837 LU2 C15 H10 O6 286.239 0.85738188 Kd = 6610.0 pass pass pass pass 8WS4 pass pass pass X-RAY DIFFRACTION 1.53 0.1548 ANN C8 H8 O3 152.149 0.81437199 Kd = 650.0 pass pass pass pass 8WXZ pass pass pass X-RAY DIFFRACTION 2.3 0.2048 ACY C2 H4 O2 60.052 0.97977098 Kd = 499.0 pass pass pass pass 8X45 pass pass pass X-RAY DIFFRACTION 2.5 0.23109 MTA C11 H15 N5 O3 S 297.333 0.93731826 Kd = 5300.0 pass pass pass pass 8X46 pass pass pass X-RAY DIFFRACTION 2.2 0.21301 SFG C15 H23 N7 O5 381.393 0.96775483 Kd = 7140.0 pass pass pass pass 8X9F pass pass pass X-RAY DIFFRACTION 2.48 0.2446 S8I C14 H18 N2 214.312 0.4087357 Kd = 144000.0 pass pass pass pass 8XF7 pass pass pass X-RAY DIFFRACTION 1.12 0.1252 6L0 C27 H46 N6 O9 598.698 0.74786115 Kd = 2.9 pass pass pass pass 8XP4 pass pass pass X-RAY DIFFRACTION 2.26 0.2388 ALY C8 H16 N2 O3 188.227 0.91989834 Kd = 407000.0 pass pass pass pass 8Y58 pass pass pass X-RAY DIFFRACTION 1.6 0.1762 PMZ C19 H22 N2 O S 326.458 0.782989 Kd = 5660.0 pass pass pass pass 8Y9O pass pass pass X-RAY DIFFRACTION 1.9 0.2391 IB0 C12 H12 N4 O 228.255 0.96414731 Kd = 27700.0 pass pass pass pass 8YJC pass pass pass X-RAY DIFFRACTION 1.3 0.1699 IHP C6 H18 O24 P6 660.03 0.79356938 Kd = 1400.0 pass pass pass pass 8Z30 pass pass pass X-RAY DIFFRACTION 2.3 0.1963 TLF C14 H12 Cl N O2 261.705 0.89207545 Kd = 6000.0 pass pass pass pass 8Z37 pass pass pass X-RAY DIFFRACTION 2.4 0.2201 Y4T C18 H18 O2 266.34 0.5291011 Kd = 12900.0 pass pass pass pass 8Z3J pass pass pass X-RAY DIFFRACTION 1.52 0.1702 R75 C17 H12 Br2 O3 424.088 0.78868492 Kd = 840.0 pass pass pass pass 9AVH pass pass pass X-RAY DIFFRACTION 1.8 0.1434 ANN C8 H8 O3 152.149 0.92011745 Kd = 1815000.0 pass pass pass pass 9B1U pass pass pass X-RAY DIFFRACTION 1.46 0.1987 PQQ C14 H6 N2 O8 330.208 0.98960311 Kd = 60.0 pass pass pass pass 9BA3 pass pass pass X-RAY DIFFRACTION 2.1 0.2107 GUN C5 H5 N5 O 151.129 1.0 Kd = 7000.0 pass pass pass pass 9BO0 pass pass pass X-RAY DIFFRACTION 2.16 0.2189 XEK C28 H19 Cl2 F N4 O4 565.382 0.77900383 Ki = 55.0 pass pass pass pass 9BO1 pass pass pass X-RAY DIFFRACTION 1.96 0.2069 XEK C28 H19 Cl2 F N4 O4 565.382 0.78690462 Ki = 79.0 pass pass pass pass 9BO2 pass pass pass X-RAY DIFFRACTION 1.91 0.2036 XEK C28 H19 Cl2 F N4 O4 565.382 0.80228425 Ki = 92.0 pass pass pass pass 9C1Z pass pass pass X-RAY DIFFRACTION 2.0 0.1992 V5D C26 H29 N5 O 427.552 0.74269344 Ki = 1960.0 pass pass pass pass 9CDK pass pass pass X-RAY DIFFRACTION 1.61 0.1833 XEK C28 H19 Cl2 F N4 O4 565.382 0.82405498 Ki = 83.0 pass pass pass pass 9CDM pass pass pass X-RAY DIFFRACTION 2.05 0.1942 XEK C28 H19 Cl2 F N4 O4 565.382 0.83188833 Ki = 67.0 pass pass pass pass 9CSC pass pass pass X-RAY DIFFRACTION 2.0 0.2224 ACT C2 H3 O2 59.044 0.91216551 Ki = 2470.0 pass pass pass pass 9DA0 pass pass pass X-RAY DIFFRACTION 2.28 0.1985 AG7 C31 H41 F N4 O7 600.688 0.77718448 Ki = 564000.0 pass pass pass pass 9DA6 pass pass pass X-RAY DIFFRACTION 1.35 0.1596 NRI C5 H12 N O5 P 197.127 0.98611 Kd = 1300.0 pass pass pass pass 9DFW pass pass pass X-RAY DIFFRACTION 1.677 0.1552 CTP C9 H16 N3 O14 P3 483.156 0.97373817 Ki = 220.0 pass pass pass pass 9DL2 pass pass pass X-RAY DIFFRACTION 1.55 0.1674 53E C9 H8 O4 180.159 0.96803568 Ki = 320000.0 pass pass pass pass 9E4U pass pass pass X-RAY DIFFRACTION 2.23 0.2203 NAI C21 H29 N7 O14 P2 665.446 0.91792202 Kd = 85000.0 pass pass pass pass 9E4W pass pass pass X-RAY DIFFRACTION 2.08 0.2189 4BW C20 H24 N10 O13 P2 674.417 0.80389068 Kd = 157.2 pass pass pass pass 9EOL pass pass pass X-RAY DIFFRACTION 1.69 0.1803 6PG C6 H13 O10 P 276.134 0.68497095 Ki = 280000.0 pass pass pass pass 9F2H pass pass pass X-RAY DIFFRACTION 1.3 0.1675 657 C8 H5 F3 N2 O S 234.195 0.77607527 Kd = 1118000.0 pass pass pass pass 9FD4 pass pass pass X-RAY DIFFRACTION 1.14 0.1209 FAD C27 H33 N9 O15 P2 785.557 0.73559691 Kd = 6800.0 pass pass pass pass 9FD5 pass pass pass X-RAY DIFFRACTION 1.31 0.1151 FAD C27 H33 N9 O15 P2 785.557 0.6950319 Kd = 6800.0 pass pass pass pass 9FWD pass pass pass X-RAY DIFFRACTION 1.925 0.2027 AMP C10 H14 N5 O7 P 347.224 0.93355502 Kd = 6300000.0 pass pass pass pass 9FXD pass pass pass X-RAY DIFFRACTION 1.736 0.1976 ASP C4 H7 N O4 133.103 0.94609441 Kd = 680000.0 pass pass pass pass 9FXZ pass pass pass X-RAY DIFFRACTION 1.3 0.1572 V19 C21 H19 Br N2 O5 459.296 0.67488843 Kd = 34000.0 pass pass pass pass 9G9Q pass pass pass X-RAY DIFFRACTION 2.03 0.1641 ANN C8 H8 O3 152.149 0.88718625 Kd = 3800.0 pass pass pass pass 9G9R pass pass pass X-RAY DIFFRACTION 1.65 0.1941 EGM C9 H10 O2 150.177 0.90272086 Kd = 6000.0 pass pass pass pass 9G9S pass pass pass X-RAY DIFFRACTION 1.85 0.2078 TWO C9 H10 O4 182.175 0.90145382 Kd = 18000.0 pass pass pass pass 9GKX pass pass pass X-RAY DIFFRACTION 1.75 0.1625 SHH C14 H20 N2 O3 264.325 0.89486393 Ki = 41.6 pass pass pass pass 9GN6 pass pass pass X-RAY DIFFRACTION 1.95 0.1373 SHH C14 H20 N2 O3 264.325 0.75418879 Ki = 22.4 pass pass pass pass 9GOZ pass pass pass X-RAY DIFFRACTION 1.4 0.187 EOL C10 H12 O2 164.204 0.82158031 Kd = 2200.0 pass pass pass pass 9H0S pass pass pass X-RAY DIFFRACTION 1.45 0.1682 9CK C19 H22 Br N5 O2 432.322 0.73527941 Kd = 60.0 pass pass pass pass 9HDX pass pass pass X-RAY DIFFRACTION 1.05 0.1389 TMP C10 H15 N2 O8 P 322.21 0.99219749 Kd = 118600.0 pass pass pass pass 9HEH pass pass pass X-RAY DIFFRACTION 1.5 0.1739 CHT C5 H14 N O 104.173 0.99966576 Kd = 2800.0 pass pass pass pass 9HT3 pass pass pass X-RAY DIFFRACTION 1.8 0.18541 ITN C5 H6 O4 130.099 0.99772152 Kd = 179600.0 pass pass pass pass 9HT4 pass pass pass X-RAY DIFFRACTION 1.75 0.20097 SIN C4 H6 O4 118.088 0.99623274 Kd = 32600.0 pass pass pass pass 9I2U pass pass pass X-RAY DIFFRACTION 2.17 0.2005 SFC C34 H53 N7 O17 P3 S 956.812 0.83413355 Ki = 3040.0 pass pass pass pass 9IPT pass pass pass X-RAY DIFFRACTION 2.5 0.2285 SPD C7 H19 N3 145.25 0.94323151 Kd = 730.0 pass pass pass pass 9J3U pass pass pass X-RAY DIFFRACTION 1.83 0.1513 34D C7 H6 O4 154.121 0.92605067 Ki = 25700.0 pass pass pass pass 9JAD pass pass pass X-RAY DIFFRACTION 1.55 0.1655 5GP C10 H14 N5 O8 P 363.223 0.96648486 Kd = 7100.0 pass pass pass pass 9JPL pass pass pass X-RAY DIFFRACTION 2.01 0.2002 2HG C5 H8 O5 148.114 0.99306745 Kd = 3100.0 pass pass pass pass 9JWL pass pass pass X-RAY DIFFRACTION 2.4 0.1988 ALL C6 H12 O6 180.156 0.98159315 Kd = 38400.0 pass pass pass pass 9JWT pass pass pass X-RAY DIFFRACTION 1.6 0.1853 ALL C6 H12 O6 180.156 0.94220751 Kd = 51200.0 pass pass pass pass 9KUP pass pass pass X-RAY DIFFRACTION 1.5 0.1638 MLT C4 H6 O5 134.087 0.9919928 Kd = 40000.0 pass pass pass pass 9LB7 pass pass pass X-RAY DIFFRACTION 2.35 0.224 XGP C6 H13 O9 P 260.135 0.81090326 Kd = 1000000.0 pass pass pass pass 9LN2 pass pass pass X-RAY DIFFRACTION 1.77 0.15722 DST C5 H12 O6 P2 S 262.153 0.64692132 Kd = 44700.0 pass pass pass pass 9LNZ pass pass pass X-RAY DIFFRACTION 1.93 0.15509 99C C12 H18 O8 P2 352.216 0.66044231 Kd = 55.7 pass pass pass pass 9MT9 pass pass pass X-RAY DIFFRACTION 1.78 0.1896 A8K C12 H10 O2 S 218.27 0.82636293 Kd = 45600.0 pass pass pass pass 9MWN pass pass pass X-RAY DIFFRACTION 2.0 0.1916 H44 C25 H25 N5 S2 459.63 0.58527187 Ki = 6735.0 pass pass pass pass 9N6P pass pass pass X-RAY DIFFRACTION 1.9 0.1679 7YY C22 H17 Cl F3 N9 O2 531.883 0.7590063 Kd = 28.0 pass pass pass pass 9N6R pass pass pass X-RAY DIFFRACTION 1.7 0.1708 7YY C22 H17 Cl F3 N9 O2 531.883 0.80736651 Kd = 6.0 pass pass pass pass 9NC2 pass pass pass X-RAY DIFFRACTION 1.5 0.1581 F97 C21 H26 F2 N8 428.491 0.77687407 Ki = 10.0 pass pass pass pass 9NIA pass pass pass X-RAY DIFFRACTION 1.55 0.1831 ETA C2 H7 N O 61.084 1.0 Kd = 1300.0 pass pass pass pass 9NIT pass pass pass X-RAY DIFFRACTION 1.72 0.1796 2A1 C3 H9 N O 75.111 0.99997067 Kd = 3200.0 pass pass pass pass 9NIV pass pass pass X-RAY DIFFRACTION 1.75 0.1847 SEL C3 H9 N O2 91.11 1.0 Kd = 15900.0 pass pass pass pass 9O0O pass pass pass X-RAY DIFFRACTION 1.9 0.1693 6IC C33 H31 F3 N6 O2 600.645 0.80489184 Kd = 15.0 pass pass pass pass 9O0Q pass pass pass X-RAY DIFFRACTION 1.9 0.1768 6IC C33 H31 F3 N6 O2 600.645 0.81807075 Kd = 50.0 pass pass pass pass 9OOZ pass pass pass X-RAY DIFFRACTION 1.98 0.1953 PQQ C14 H6 N2 O8 330.208 0.99467104 Kd = 13000.0 pass pass pass pass 9PMP pass pass pass X-RAY DIFFRACTION 2.49 0.2222 HNS C13 H11 N O4 245.234 0.67962408 Kd = 6840.0 pass pass pass pass 9QAM pass pass pass X-RAY DIFFRACTION 1.85 0.1986 CPF C17 H18 F N3 O3 331.347 0.67076952 Ki = 33800.0 pass pass pass pass 9QK3 pass pass pass X-RAY DIFFRACTION 1.65 0.2239 HC4 C9 H8 O3 164.16 0.90147975 Kd = 930000.0 pass pass pass pass 9QK4 pass pass pass X-RAY DIFFRACTION 2.0 0.2278 FER C10 H10 O4 194.186 0.93222917 Kd = 590000.0 pass pass pass pass 9QK5 pass pass pass X-RAY DIFFRACTION 1.45 0.1955 DHC C9 H8 O4 180.159 0.91288468 Kd = 2750000.0 pass pass pass pass 9QZE pass pass pass X-RAY DIFFRACTION 2.01 0.216 NAD C21 H27 N7 O14 P2 663.43 0.72099955 Kd = 33.0 pass pass pass pass 9SMZ pass pass pass X-RAY DIFFRACTION 2.28 0.2398 YMR C7 H6 O2 122.123 0.95005637 Kd = 3120.0 pass pass pass pass 9U3B pass pass pass X-RAY DIFFRACTION 1.3 0.1529 PRS C4 H7 N O2 S 133.165 0.92971152 Ki = 4200000.0 pass pass pass pass 9UYZ pass pass pass X-RAY DIFFRACTION 2.45 0.2317 SRO C10 H12 N2 O 176.219 0.71178653 Kd = 260000.0 pass pass pass pass 9UZ1 pass pass pass X-RAY DIFFRACTION 2.35 0.2049 TRP C11 H12 N2 O2 204.229 0.85111338 Kd = 37500.0 pass pass pass pass 9UZ3 pass pass pass X-RAY DIFFRACTION 2.5 0.2394 DTR C11 H12 N2 O2 204.229 0.69277397 Kd = 517000.0 pass pass pass pass 9UZ5 pass pass pass X-RAY DIFFRACTION 2.5 0.1985 D0Q C12 H14 N2 O2 218.256 0.86285149 Kd = 66000.0 pass pass pass pass 9UZG pass pass pass X-RAY DIFFRACTION 2.15 0.1812 XI7 C10 H8 O4 192.17 0.43162388 Kd = 70700.0 pass pass pass pass 9VPT pass pass pass X-RAY DIFFRACTION 1.9 0.18282 DOR C5 H6 N2 O4 158.113 0.91762943 Kd = 1100000.0 pass pass pass pass 9VPU pass pass pass X-RAY DIFFRACTION 2.0 0.17433 DOR C5 H6 N2 O4 158.113 0.90552591 Kd = 9000000.0 pass pass pass pass 9VPV pass pass pass X-RAY DIFFRACTION 2.4 0.18313 ORO C5 H4 N2 O4 156.097 0.90304568 Kd = 340000.0 pass pass pass pass 9VPW pass pass pass X-RAY DIFFRACTION 2.3 0.19423 ORO C5 H4 N2 O4 156.097 0.91544191 Kd = 1030000.0 pass pass pass pass 9VPY pass pass pass X-RAY DIFFRACTION 2.48 0.16298 FUM C4 H4 O4 116.072 0.93087221 Kd = 3300000.0 pass pass pass pass 9VQ0 pass pass pass X-RAY DIFFRACTION 1.95 0.18868 ORO C5 H4 N2 O4 156.097 0.91035341 Kd = 290000.0 pass pass pass pass 9XAX pass pass pass X-RAY DIFFRACTION 2.08 0.1686 TTN C3 H2 O5 118.044 0.86828302 Ki = 55500.0 pass pass pass pass