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Q5S007 | LRRK2_HUMAN | Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)

3D structures mapped by conservation among orthologs

[ Domain: "P-loop containing nucleoside triphosphate hydrolases" // Ras_1 ]

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[ Domain: "8-bladed" // ANAPC4_WD40_4 ]

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[ Domain: "8-bladed" // ANAPC4_WD40_6 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3969077 OBDepict N N H N N H CH 3 N N H 3 C Ki = 0.06 nM 328.38 Cc1cccc(-c2cc(Nc3ccn(C)n3)nc3[nH]cc(C#N)c23)c1 Homo sapiens CHEMBL4031820 assay format
CHEMBL2152707 OBDepict CH 3 N N N N H N O Ki = 0.3 nM 323.4 Cn1cc(/C=C/c2n[nH]c3ccnc(OC4CCCCC4)c23)cn1 Homo sapiens CHEMBL2154046 single protein format
CHEMBL3890082 OBDepict CH 3 N H N N N H F F F N N O H 3 C H 3 C Ki = 0.3 nM 356.35 CCNc1nc(Nc2cnn3c2COC(C)(C)C3)ncc1C(F)(F)F Homo sapiens CHEMBL3887721 single protein format
CHEMBL3923102 OBDepict H 3 C N H N N N H F F F N H 3 C N CH 3 H 3 C N H 3 C N Ki = 0.3 nM 408.43 CCNc1nc(Nc2cn(C(C)(C)c3ccnn3C)nc2C)ncc1C(F)(F)F Homo sapiens CHEMBL3887718 single protein format
CHEMBL3942517 OBDepict CH 3 O N H S H 3 C O O CH 3 N N N H CH 3 F F F Ki = 0.3 nM 390.39 CNc1nc(Nc2cc(C)c(S(C)(=O)=O)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3887084 single protein format
CHEMBL3961632 OBDepict N N H N NH 2 CH 3 Ki = 0.5 nM 248.29 Cc1cccc(-c2cc(N)nc3[nH]cc(C#N)c23)c1 Homo sapiens CHEMBL4031820 assay format
CHEMBL3933443 OBDepict CH 3 N H N N N H F F F N Cl N H 3 C CH 3 N N N CH 3 Ki = 0.5 nM 429.84 CCNc1nc(Nc2cn(C(C)(C)c3ncn(C)n3)nc2Cl)ncc1C(F)(F)F Homo sapiens CHEMBL3887718 single protein format
CHEMBL4539170 OBDepict CH 3 N H 3 C N N N H N NH O Ki = 0.5 nM 326.4 CCc1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)nn1C Homo sapiens CHEMBL4331198 cell-based format
CHEMBL4098447 OBDepict CH 3 N N N N H N N O IC50 < 0.6 nM 360.42 Cn1cc(-c2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)cn1 Homo sapiens CHEMBL4010109 assay format
CHEMBL3904575 OBDepict H 3 C N H N N N H F F F N H 3 C N H F O Ki = 0.6 nM 374.34 CNc1nc(Nc2cnn(C3CCOC[C@@H]3F)c2C)ncc1C(F)(F)F Homo sapiens CHEMBL3887718 single protein format
CHEMBL3967223 OBDepict CH 3 N H N N N H F F F N CH 3 N H 3 C CH 3 N N N CH 3 H 3 C Ki = 0.6 nM 437.47 CCNc1nc(Nc2cn(C(C)(C)c3ncn(C(C)C)n3)nc2C)ncc1C(F)(F)F Homo sapiens CHEMBL3887718 single protein format
CHEMBL3962633 OBDepict H 3 C NH N N HN F F F N N Ki = 0.6 nM 298.27 CNc1nc(Nc2cnn3c2CCC3)ncc1C(F)(F)F Homo sapiens CHEMBL3887721 single protein format
CHEMBL3643968 OBDepict CH 3 O N H N H O N N N H CH 3 N F F F H 3 C Ki = 0.6 nM 438.45 CNc1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705458 single protein format
CHEMBL4114199 OBDepict CH 3 N H N N N H F F F N CH 3 N H F O Ki = 0.6 nM 374.34 CNc1nc(Nc2cn(C3CCOC[C@H]3F)nc2C)ncc1C(F)(F)F Homo sapiens CHEMBL3887718 single protein format
CHEMBL3643987 OBDepict CH 3 O H N O F O CH 3 N H N N N H F F F CH 3 Ki = 0.6 nM 471.46 CCNc1nc(Nc2cc(F)c(C(=O)N3CCC[C@H]3COC)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705458 single protein format
CHEMBL4745472 OBDepict CH 3 N N N N Cl N H 3 C O IC50 < 0.625 nM 399.93 Cn1cc(-n2ncc3cc(Cl)c(C4CCN(C5(C)CCOC5)CC4)cc32)cn1 Homo sapiens CHEMBL4714711 assay format
CHEMBL4745837 OBDepict N N N N N N H 3 C O IC50 < 0.625 nM 402.5 CC1(N2CCC(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3C#N)CC2)COC1 Homo sapiens CHEMBL4714711 assay format
CHEMBL4757048 OBDepict N N N N N Cl N H 3 C O IC50 < 0.625 nM 462.99 CC1(N2CCC(c3cc4c(cnn4-c4cnn(C56CC(C#N)(C5)C6)c4)cc3Cl)CC2)COC1 Homo sapiens CHEMBL4714711 assay format
CHEMBL3122119 OBDepict H 3 C N H N N N H F F F N H 3 C N CH 3 H 3 C N Ki = 0.7 nM 353.35 CCNc1nc(Nc2cc(C(C)(C)C#N)nn2C)ncc1C(F)(F)F Homo sapiens CHEMBL3124216 single protein format
CHEMBL3122113 OBDepict N N CH 3 CH 3 N CH 3 N H N N NH H 3 C F F F Ki = 0.7 nM 339.33 CNc1nc(Nc2cn(C(C)(C)C#N)nc2C)ncc1C(F)(F)F Homo sapiens CHEMBL3124216 single protein format
CHEMBL4100904 OBDepict CH 3 O H 3 C N N H N N O IC50 = 0.7 nM 338.41 CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1 Homo sapiens CHEMBL4010109 assay format
CHEMBL4764691 OBDepict Cl N N N N N H 3 C O IC50 = 0.71 nM 437.98 CC1(N2CCC(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)COC1 Homo sapiens CHEMBL4714711 assay format
CHEMBL3902701 OBDepict CH 3 N H 3 C N N N N N H N N H 3 C IC50 = 0.73 nM 402.51 CC(C)N1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)CC1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL3921329 OBDepict CH 3 O N N N H N N N H CH 3 O H CH 3 IC50 = 0.75 nM 416.49 COc1ccncc1-c1ccc2[nH]nc(-c3cc(N4C[C@H](C)O[C@H](C)C4)ncn3)c2c1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL3890426 OBDepict CH 3 N N N N N N H N N H 3 C IC50 = 0.76 nM 388.48 CCN1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)CC1 Homo sapiens CHEMBL3887174 single protein format
CHEMBL4098877 OBDepict H N N N O N N H 3 C H H 3 C O H CH 3 IC50 = 0.76 nM 379.46 C[C@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C[C@@H](C)O1 Homo sapiens CHEMBL4010109 assay format
CHEMBL4791349 OBDepict CH 3 N N N N Cl N CH 3 O IC50 = 0.8 nM 399.93 CCn1cc(-n2ncc3cc(Cl)c(C4CCN(C5(C)COC5)CC4)cc32)cn1 Homo sapiens CHEMBL4714711 assay format
CHEMBL4093185 OBDepict H 3 C N N N N N H O CH 3 CH 3 IC50 = 0.8 nM 351.45 CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCN(C)CC4)c3)c2c1 Homo sapiens CHEMBL4010109 assay format
CHEMBL3643963 OBDepict CH 3 O N H N O N N N H CH 3 N F F F CH 3 H 3 C Ki = 0.8 nM 452.48 CNc1nc(Nc2ccc(C(=O)N3CCC(N(C)C)CC3)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705458 single protein format
CHEMBL4553532 OBDepict N N N N N N H HO H 3 C CH 3 IC50 = 0.9 nM 428.54 CC(C)(O)[C@@H]1CCN(c2cc(-n3ncc4ccc(C5(C#N)CC6(CC6)C5)cc43)ncn2)C1 Homo sapiens CHEMBL4434259 single protein format
CHEMBL4763199 OBDepict Cl N N N N N O IC50 = 0.9 nM 411.94 Clc1cc2cnn(-c3cnn(C4CCC4)c3)c2cc1C1CCN(C2COC2)CC1 Homo sapiens CHEMBL4714711 assay format
CHEMBL3122105 OBDepict CH 3 N H N N N H F F F N N O H 3 C H 3 C Ki = 0.9 nM 342.32 CNc1nc(Nc2cnn3c2COC(C)(C)C3)ncc1C(F)(F)F Homo sapiens CHEMBL3124216 single protein format
CHEMBL3915861 OBDepict CH 3 N H 3 C N N N N N H N N H IC50 = 0.96 nM 388.48 CC(C)N1CCN(c2cc(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)ncn2)CC1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL3921299 OBDepict H 3 C O S N O O N CH 3 N H N N N H F F F H 3 C Ki = 0.96 nM 408.41 CCNc1nc(Nc2cn(S(=O)(=O)CCOC)nc2C)ncc1C(F)(F)F Homo sapiens CHEMBL3887718 single protein format
CHEMBL3943790 OBDepict H 3 C N H N N N H F F F N CH 3 N CH 3 O Ki = 0.975 nM 356.35 CCNc1nc(Nc2cn(C3(C)COC3)nc2C)ncc1C(F)(F)F Homo sapiens CHEMBL3887718 single protein format
CHEMBL4559776 OBDepict N N N N N N CH 3 OH IC50 = 1.0 nM 426.52 CC1(O)CC2(CN(c3cc(-n4ncc5ccc(C6(C#N)CC7(CC7)C6)cc54)ncn3)C2)C1 Homo sapiens CHEMBL4434259 single protein format
CHEMBL3980700 OBDepict N N H N N H CH 3 N N N H 3 C O IC50 = 1.0 nM 427.51 Cc1cc(-c2cc(Nc3ccn(C)n3)nc3[nH]cc(C#N)c23)ccc1CN1CCOCC1 Homo sapiens CHEMBL3889252 single protein format
CHEMBL4450014 OBDepict N N N N N N N H CH 3 O IC50 = 1.0 nM 455.57 C[C@H]1CN(c2cc(-n3ncc4ccc(C5(C#N)CC6(CC6)C5)cc43)ncn2)CCN1C1COC1 Homo sapiens CHEMBL4434259 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 1.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL2398947 single protein format
CHEMBL3122114 OBDepict N N CH 3 H 3 C N CH 3 N H N N NH H 3 C F F F Ki = 1.0 nM 339.33 CNc1nc(Nc2cnn(C(C)(C)C#N)c2C)ncc1C(F)(F)F Homo sapiens CHEMBL3124216 single protein format
CHEMBL2171743 OBDepict CH 3 O N H N O N N N H O Br CH 3 Ki = 1.0 nM 422.28 CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Br Homo sapiens CHEMBL2174491 single protein format
CHEMBL3694823 OBDepict H 3 C N N O N H 3 C Cl N H N N N H H 3 C F F F Ki = 1.0 nM 495.94 CCN1CCN(C(=O)c2cn(C)c3cc(Nc4ncc(C(F)(F)F)c(NC)n4)c(Cl)cc23)CC1 Homo sapiens CHEMBL3706002 single protein format
CHEMBL3694822 OBDepict CH 3 HN N N N H F F F Cl N H 3 C N O N CH 3 Ki = 1.0 nM 481.91 CNc1nc(Nc2cc3c(cc2Cl)c(C(=O)N2CCN(C)CC2)cn3C)ncc1C(F)(F)F Homo sapiens CHEMBL3706002 single protein format
CHEMBL3694821 OBDepict H 3 C O N H N N N N O CH 3 N H CH 3 O F F F Ki = 1.0 nM 464.45 CNc1nc(Nc2cc3c(cc2OC)c(C(=O)N2CCOCC2)cn3C)ncc1C(F)(F)F Homo sapiens CHEMBL3706002 single protein format
CHEMBL3694820 OBDepict H 3 C NH N N N H F F F Cl N CH 3 N O O Ki = 1.0 nM 482.89 CCNc1nc(Nc2cc3c(cc2Cl)c(C(=O)N2CCOCC2)cn3C)ncc1C(F)(F)F Homo sapiens CHEMBL3706002 single protein format
CHEMBL3694804 OBDepict CH 3 O N H N N N CH 3 O NH H 3 C F F F Ki = 1.0 nM 367.33 CNc1nc(Nc2ccc3c(c2OC)CN(C)C3=O)ncc1C(F)(F)F Homo sapiens CHEMBL3706002 single protein format
CHEMBL3694802 OBDepict CH 3 N H N N N H F F F Cl N H 3 C O Ki = 1.0 nM 371.75 CNc1nc(Nc2cc3c(cc2Cl)C(=O)N(C)C3)ncc1C(F)(F)F Homo sapiens CHEMBL3706002 single protein format
CHEMBL2178125 OBDepict H 3 C O N H O N O N N H 3 C N H O H 3 C F F F Ki = 1.0 nM 441.41 CNc1nc(Nc2cc(OC)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL2188383 single protein format
CHEMBL3694796 OBDepict CH 3 O N H O N N N O N H CH 3 CH 3 H 3 C F F F Ki = 1.0 nM 409.37 CNc1nc(Nc2cc3oc(C(=O)N(C)C)cc3cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3706002 single protein format
CHEMBL3681050 OBDepict H 3 C O N N N N H 3 C O CH 3 N H N N N H CH 3 F F F Ki = 1.0 nM 424.39 CNc1nc(Nc2cc(C)c(-n3nnnc3COC)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705452 single protein format
CHEMBL2171745 OBDepict CH 3 O N H N O N N N H O CH 3 F F F Ki = 1.0 nM 411.38 CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL2174491 single protein format
CHEMBL3985168 OBDepict CH 3 O N H S Cl O O CH 3 N N N H CH 3 F F F Ki = 1.0 nM 410.81 CNc1nc(Nc2cc(Cl)c(S(C)(=O)=O)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3887084 single protein format
CHEMBL3681029 OBDepict H 3 C O N H N N N H 3 C N N H CH 3 F F F Ki = 1.0 nM 378.36 CNc1nc(Nc2ccc(-c3ccnn3C)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705452 single protein format
CHEMBL3681030 OBDepict CH 3 O N H N N H 3 C N CH 3 O HN CH 3 F F F Ki = 1.0 nM 393.37 CNc1nc(Nc2ccc(-c3c(C)noc3C)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705452 single protein format
CHEMBL2178134 OBDepict CH 3 N H N N HN F F F O F CH 3 N O O Ki = 1.0 nM 443.4 CCNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL2188383 single protein format
CHEMBL2178135 OBDepict CH 3 O N H F N O N N HN O F F F Ki = 1.0 nM 455.41 COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(C(F)(F)F)c(NC2CC2)n1 Homo sapiens CHEMBL2188383 single protein format
CHEMBL3681045 OBDepict CH 3 O N H F N N N N CH 3 N O N H CH 3 CH 3 H 3 C F F F Ki = 1.0 nM 467.43 CNc1nc(Nc2cc(F)c(-c3cnn(C)c3C(=O)N(C)C)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705452 single protein format
CHEMBL3681049 OBDepict H 3 C O N H N CH 3 N N N N H 3 C N N H CH 3 F F F Ki = 1.0 nM 394.36 CNc1nc(Nc2cc(C)c(-n3nnnc3C)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705452 single protein format
CHEMBL2178140 OBDepict H 3 C NH N N N H F F F O F CH 3 NH O OH H 3 C H 3 C Ki = 1.0 nM 445.42 CCNc1nc(Nc2cc(F)c(C(=O)NCC(C)(C)O)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL2188383 single protein format
CHEMBL3694795 OBDepict CH 3 O N H N O H 3 C N N O H 3 C CH 3 N H Cl CH 3 Ki = 1.0 nM 377.83 CNc1nc(Nc2cc3c(cc2OC)N(C)C(=O)C(C)(C)O3)ncc1Cl Homo sapiens CHEMBL3706002 single protein format
CHEMBL3957757 OBDepict H 3 C N H N N N H F F F N Cl N H 3 C H 3 C N N N H 3 C Ki = 1.1 nM 429.84 CCNc1nc(Nc2cnn(C(C)(C)c3nncn3C)c2Cl)ncc1C(F)(F)F Homo sapiens CHEMBL3887718 single protein format
CHEMBL3930752 OBDepict CH 3 N H N N N H F F F N Cl N H 3 C CH 3 N N N H 3 C Ki = 1.1 nM 443.87 CCNc1nc(Nc2cn(C(C)(C)c3ncn(CC)n3)nc2Cl)ncc1C(F)(F)F Homo sapiens CHEMBL3887718 single protein format
CHEMBL3643969 OBDepict CH 3 O N H N H O N N N H CH 3 F F F F F Ki = 1.1 nM 459.42 CNc1nc(Nc2ccc(C(=O)NC3CCC(F)(F)CC3)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705458 single protein format
CHEMBL4093670 OBDepict H 3 C O CH 3 N H O N N H H 3 C IC50 = 1.2 nM 283.33 Cc1ncc(/C=C2C(=O)Nc3ccc(OC(C)C)cc32)[nH]1 Homo sapiens CHEMBL4018178 assay format
CHEMBL3921084 OBDepict H 3 C O CH 3 F N N N H N N N H H 3 C H 3 C IC50 = 1.2 nM 384.46 CC(C)Oc1cc2c(-c3cc(N4CCN(C)[C@@H](C)C4)ncn3)n[nH]c2cc1F Homo sapiens CHEMBL3888825 single protein format
CHEMBL4441650 OBDepict H N N N N NH N N H 3 C CH 3 O Ki = 1.2 nM 327.39 CC(C)n1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)nn1 Homo sapiens CHEMBL4331198 cell-based format
CHEMBL3938243 OBDepict CH 3 O N N N H N N N N H 3 C H 3 C IC50 = 1.26 nM 429.53 COc1ccncc1-c1ccc2[nH]nc(-c3cc(N4CCN(C(C)C)CC4)ncn3)c2c1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL4113352 OBDepict H 3 C O CH 3 F N N N H N N N H H 3 C H 3 C IC50 = 1.3 nM 384.46 CC(C)Oc1cc2c(-c3cc(N4CCN(C)[C@H](C)C4)ncn3)n[nH]c2cc1F Homo sapiens CHEMBL3888825 single protein format
CHEMBL3918740 OBDepict CH 3 O H 3 C F N N N H N N H H 3 C N H CH 3 CH 3 IC50 = 1.33 nM 398.49 CC(C)Oc1cc2c(-c3cc(N4C[C@H](C)N(C)[C@H](C)C4)ncn3)n[nH]c2cc1F Homo sapiens CHEMBL3888825 single protein format
CHEMBL3981433 OBDepict H N N N N H N N N H CH 3 O H H 3 C IC50 = 1.35 nM 375.44 C[C@H]1CN(c2cc(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)ncn2)C[C@@H](C)O1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL3944061 OBDepict H 3 C N N N N H N N N H CH 3 O H H 3 C IC50 = 1.4 nM 389.46 C[C@H]1CN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)C[C@@H](C)O1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL3643988 OBDepict CH 3 O N O CH 3 F O H 3 C N H N N N H F F F H 3 C Ki = 1.4 nM 459.44 CCNc1nc(Nc2cc(F)c(C(=O)N(CC)CCOC)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705458 single protein format
CHEMBL3641895 OBDepict CH 3 N H N N HN F F F F O CH 3 N O O Ki = 1.4 nM 443.4 CCNc1nc(Nc2cc(OC)c(C(=O)N3CCOCC3)cc2F)ncc1C(F)(F)F Homo sapiens CHEMBL3705458 single protein format
CHEMBL3957927 OBDepict H N N N N H N N N H H 3 C O H CH 3 IC50 = 1.44 nM 375.44 C[C@H]1CN(c2cc(-c3n[nH]c4ccc(-c5ccn[nH]5)cc34)ncn2)C[C@@H](C)O1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL3922699 OBDepict CH 3 O N N N N H N N N O IC50 = 1.5 nM 405.46 COCCn1cc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)cn1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL3641847 OBDepict CH 3 O NH HN O Cl N N NH N CH 3 CH 3 F F F Ki = 1.5 nM 472.9 CNc1nc(Nc2cc(OC)c(C(=O)NC3CCN(C)CC3)cc2Cl)ncc1C(F)(F)F Homo sapiens CHEMBL3705458 single protein format
CHEMBL3641806 OBDepict H 3 C O N H N O N N N H O Cl Ki = 1.5 nM 417.9 COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(NC2CCC2)n1 Homo sapiens CHEMBL3705458 single protein format
CHEMBL3643957 OBDepict CH 3 O N H N O N N HN F F CH 3 F F F Ki = 1.5 nM 417.34 CNc1nc(Nc2ccc(C(=O)N3CC(F)(F)C3)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705458 single protein format
CHEMBL3955660 OBDepict H 3 C O N N N H N N N N S O O CH 3 IC50 = 1.58 nM 465.54 COc1ccncc1-c1ccc2[nH]nc(-c3cc(N4CCN(S(C)(=O)=O)CC4)ncn3)c2c1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL3643985 OBDepict CH 3 O N CH 3 O F O H 3 C N H N N N H F F F H 3 C Ki = 1.6 nM 445.42 CCNc1nc(Nc2cc(F)c(C(=O)N(C)CCOC)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705458 single protein format
CHEMBL3639428 OBDepict H 3 C O N O O N H CH 3 N N HN CH 3 F F F Ki = 1.6 nM 439.44 CNc1nc(Nc2ccc(C(=O)N3CCC(OC)CC3)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705458 single protein format
CHEMBL3972368 OBDepict O CH 3 CH 3 N N H N N N O IC50 = 1.63 nM 403.49 CC1(C)CC(=O)C=C(c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)C1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL3910233 OBDepict O N N H N N N O IC50 = 1.63 nM 375.43 O=C1C=C(c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)CCC1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL3934167 OBDepict CH 3 O N O N N N N N H O F H 3 C CH 3 IC50 = 1.63 nM 428.47 COCCN1CCN(c2cc(-c3n[nH]c4cc(F)c(OC(C)C)cc34)ncn2)CC1=O Homo sapiens CHEMBL3888825 single protein format
CHEMBL3929129 OBDepict HO N N N N N N H O F H 3 C H 3 C IC50 = 1.65 nM 400.46 CC(C)Oc1cc2c(-c3cc(N4CCN(CCO)CC4)ncn3)n[nH]c2cc1F Homo sapiens CHEMBL3888825 single protein format
CHEMBL3912556 OBDepict CH 3 O O H 3 C H N N H N N N H CH 3 O H H 3 C IC50 = 1.7 nM 397.48 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4C[C@H](C)O[C@H](C)C4)ncn3)c2c1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL3643965 OBDepict N N O O N H CH 3 N N N H CH 3 F F F Ki = 1.7 nM 434.42 CNc1nc(Nc2ccc(C(=O)N3CCC(C#N)CC3)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705458 single protein format
CHEMBL3643959 OBDepict CH 3 O N H N O N N N H O CH 3 F F F Ki = 1.7 nM 437.42 CNc1nc(Nc2ccc(C(=O)N3CC4CCC(C3)O4)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705458 single protein format
CHEMBL3960072 OBDepict CH 3 O N N N H N N N O IC50 = 1.72 nM 388.43 COc1ccncc1-c1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL3915706 OBDepict CH 3 O N N N N H N N N H CH 3 O H H 3 C IC50 = 1.8 nM 433.52 COCCn1cc(-c2ccc3[nH]nc(-c4cc(N5C[C@H](C)O[C@H](C)C5)ncn4)c3c2)cn1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL3641852 OBDepict N N O F O H 3 C N H N N NH H 3 C F F F Ki = 1.8 nM 438.39 CNc1nc(Nc2cc(F)c(C(=O)N3CCC(C#N)C3)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705458 single protein format
CHEMBL3641816 OBDepict CH 3 O NH N O N N N H O Cl Ki = 1.8 nM 431.92 COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(NCCC2CC2)n1 Homo sapiens CHEMBL3705458 single protein format
CHEMBL3641897 OBDepict CH 3 N H N N HN F F F O CH 3 F N O O Ki = 1.8 nM 443.4 CCNc1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2OC)ncc1C(F)(F)F Homo sapiens CHEMBL3705458 single protein format
CHEMBL3974581 OBDepict CH 3 N H N N N H F F F N N CH 3 O H 3 C Ki = 1.8 nM 342.32 CNc1nc(Nc2cnn3c2C(C)OC(C)C3)ncc1C(F)(F)F Homo sapiens CHEMBL3887721 single protein format
CHEMBL3952527 OBDepict H 3 C O S N O O N CH 3 N H N N N H H 3 C F F F Ki = 1.85 nM 394.38 CNc1nc(Nc2cn(S(=O)(=O)CCOC)nc2C)ncc1C(F)(F)F Homo sapiens CHEMBL3887718 single protein format
CHEMBL3931593 OBDepict H 3 C O O N N N N N H N N CH 3 IC50 = 1.87 nM 433.52 COCCOC1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)CC1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL4066983 OBDepict H N N N O N N CH 3 O IC50 = 1.9 nM 351.41 CC1(Oc2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)CC1 Homo sapiens CHEMBL4010109 assay format
CHEMBL4110232 OBDepict H 3 C N N N N H N N N O H CH 3 IC50 = 1.9 nM 375.44 C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)CCO1 Homo sapiens CHEMBL3888825 single protein format
CHEMBL4444153 OBDepict H N N N O N N H 3 C CH 3 IC50 = 2.0 nM 325.42 CC(C)n1cc(-c2n[nH]c3ccnc(OC4CCCCC4)c23)cn1 Homo sapiens CHEMBL4331900 assay format
CHEMBL3969077 OBDepict N N H N N H CH 3 N N H 3 C IC50 = 2.0 nM 328.38 Cc1cccc(-c2cc(Nc3ccn(C)n3)nc3[nH]cc(C#N)c23)c1 Homo sapiens CHEMBL3889252 single protein format