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Q14289 | FAK2_HUMAN | Protein-tyrosine kinase 2-beta (PTK2B)

3D structures mapped by conservation among orthologs

[ Domain: "Acyl-CoA binding protein-like" // FERM_M ]

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[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "PH domain-like" // FERM_C_FAK1 ]

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[ Domain: "Ubiquitin-like" // KOG4257 ]

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[ Domain: "FAT domain of focal adhesion kinase" // Focal_AT ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL4862042 OBDepict CH 3 HN O HN N N N H F F F N N S H 3 C O O H 3 C IC50 = 0.6 nM 509.51 CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccnc3N(C)S(C)(=O)=O)n2)cc1 Homo sapiens CHEMBL4814465 single protein format
CHEMBL3949755 OBDepict F F F N N H N HN N N S O O CH 3 IC50 = 0.67 nM 478.5 CS(=O)(=O)N1CCCc2cccc(c2)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21 Homo sapiens CHEMBL3873676 cell-based format
CHEMBL3958414 OBDepict H 3 C S N O O N HN N N N H N F F F O IC50 = 0.84 nM 561.59 CS(=O)(=O)N1C/C=C/c2cc(ccc2N2CCOCC2)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21 Homo sapiens CHEMBL3873676 cell-based format
CHEMBL3956954 OBDepict O N N S HN O O CH 3 N N N H F F F IC50 = 0.9 nM 560.6 CS(=O)(=O)N1CCCCC(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c(n2)NCc2ccccc21 Homo sapiens CHEMBL3873676 cell-based format
CHEMBL3987106 OBDepict H 3 C S N O O N HN N N N H N F F F O IC50 = 1.31 nM 563.61 CS(=O)(=O)N1CCCc2cc(ccc2N2CCOCC2)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21 Homo sapiens CHEMBL3873676 cell-based format
CHEMBL3899046 OBDepict CH 3 N N N N N H F F F S O O H 3 C N O IC50 = 1.5 nM 574.63 CN1Cc2ccccc2N(S(C)(=O)=O)CCCCC(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c1n2 Homo sapiens CHEMBL3873676 cell-based format
CHEMBL3969464 OBDepict CH 3 N N N N N NH F F F S O O CH 3 N O IC50 = 1.55 nM 575.62 CN1Cc2cccnc2N(S(C)(=O)=O)C/C=C/c2cc(ccc2N2CCOCC2)Nc2ncc(C(F)(F)F)c1n2 Homo sapiens CHEMBL3873676 cell-based format
CHEMBL3908093 OBDepict CH 3 S N O O NH O N N N N H F F F IC50 = 1.9 nM 574.63 CCS(=O)(=O)N1CCCCC(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c(n2)NCc2ccccc21 Homo sapiens CHEMBL3873676 cell-based format
CHEMBL452341 OBDepict CH 3 N S O O CH 3 N H N N N H F F F NH S O O IC50 = 2.0 nM 542.57 CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CS(=O)(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O Homo sapiens CHEMBL960612 single protein format
CHEMBL3961368 OBDepict F F F N N H N HN N N S O O CH 3 IC50 = 2.6 nM 476.48 CS(=O)(=O)N1C/C=C/c2cccc(c2)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21 Homo sapiens CHEMBL3873676 cell-based format
CHEMBL3977870 OBDepict CH 3 N N N N NH F F F N S O O CH 3 N O IC50 = 2.7 nM 575.62 CN1Cc2ccncc2N(S(C)(=O)=O)C/C=C/c2cc(ccc2N2CCOCC2)Nc2ncc(C(F)(F)F)c1n2 Homo sapiens CHEMBL3873676 cell-based format
CHEMBL3889951 OBDepict O N N S HN N O O CH 3 N N N H F F F IC50 = 3.1 nM 561.59 CS(=O)(=O)N1CCCCC(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21 Homo sapiens CHEMBL3873676 cell-based format
CHEMBL3912281 OBDepict O N N H S O O N H N N N HN F F F IC50 = 3.5 nM 533.54 O=C1CCCNS(=O)(=O)c2ncccc2CNc2nc(ncc2C(F)(F)F)Nc2ccc3c(c2)CCN13 Homo sapiens CHEMBL3873676 cell-based format
CHEMBL487229 OBDepict O N H HN N N N H F F F N S H 3 C O O H 3 C IC50 = 5.0 nM 506.51 CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CNC3=O)ncc1C(F)(F)F)S(C)(=O)=O Homo sapiens CHEMBL960612 single protein format
CHEMBL455680 OBDepict CH 3 N O NH N N HN F F F H H N CH 3 H 3 C IC50 = 6.0 nM 474.53 CC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(N[C@@H]4CCC[C@H]4N(C)C)n3)ccc12 Homo sapiens CHEMBL960612 single protein format
CHEMBL2207440 OBDepict O NH N H N N N N H H 3 C CH 3 H 3 C CH 3 N IC50 = 6.4 nM 465.56 Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cc(-c3ccc4ncccc4c3)[nH]n2)cc1 Homo sapiens CHEMBL2209550 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 = 10.6 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328585 single protein format
CHEMBL3128069 OBDepict HO OH CH 3 N S CH 3 N O H 2 N CH 3 H N F N N IC50 = 12.0 nM 470.53 Cc1nc([C@](C)(O)CO)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1 Homo sapiens CHEMBL3129256 single protein format
CHEMBL2207441 OBDepict O NH N H N N N N H H 3 C CH 3 H 3 C CH 3 N N IC50 = 12.5 nM 466.55 Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cc(-c3ccc4nccnc4c3)[nH]n2)cc1 Homo sapiens CHEMBL2209550 single protein format
CHEMBL3286830 OBDepict N N H 3 C N N N O CH 3 NH 2 O H CH 3 F IC50 = 14.0 nM 406.42 C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21 Homo sapiens CHEMBL3293405 single protein format
CHEMBL1084546 OBDepict O N H HN N N N H F F F N N S H 3 C O O H 3 C IC50 = 14.0 nM 507.5 CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O Homo sapiens CHEMBL1117898 single protein format
CHEMBL488089 OBDepict O N H NH N N N H F F F S O O CH 3 IC50 = 15.0 nM 477.47 CS(=O)(=O)c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F Homo sapiens CHEMBL960612 single protein format
CHEMBL529889 OBDepict O N H HN N N HN F F F S N O O IC50 = 17.0 nM 532.55 O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccc4S(=O)(=O)N4CCCC4)n3)ccc2N1 Homo sapiens CHEMBL960612 single protein format
CHEMBL3946772 OBDepict H 3 C N H O NH N N HN N H S N H O O H 3 C CH 3 IC50 < 20.0 nM 481.58 CC(=O)Nc1cccc(Nc2nc3c(c(Nc4ccccc4S(=O)(=O)NC(C)C)n2)CCN3)c1 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3946639 OBDepict H 3 C NH S O O N H N N N H NH S NH O O CH 3 H 3 C IC50 < 20.0 nM 517.64 CNS(=O)(=O)c1ccc(Nc2nc3c(c(Nc4ccccc4S(=O)(=O)NC(C)C)n2)CCN3)cc1 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3974350 OBDepict H 3 C N H CH 3 S O O N H N N H N N H N O O IC50 < 20.0 nM 537.65 CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)nc2c1CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3889853 OBDepict H 3 C N H CH 3 S O O N H N N H N N H OH H 3 C IC50 < 20.0 nM 468.58 CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(C)O)cc2)nc2c1CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3962392 OBDepict H 3 C O N H O N N N N H NH O S HN O O CH 3 CH 3 IC50 < 20.0 nM 583.71 COc1cc(OCCN2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3950186 OBDepict CH 3 N H H 3 C CH 3 N H N N N H NH S HN O O CH 3 CH 3 IC50 < 20.0 nM 509.68 CC(C)NC(C)c1ccc(Nc2nc3c(c(Nc4ccccc4S(=O)(=O)NC(C)C)n2)CCN3)cc1 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3966943 OBDepict H 3 C N H CH 3 S O O N H N N H N N H NH S O O H 3 C IC50 < 20.0 nM 517.64 CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NS(C)(=O)=O)c2)nc2c1CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL4107431 OBDepict CH 3 O HN N N N O NH N H H H 3 C N H O H 3 C IC50 < 20.0 nM 489.58 CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1[C@H](C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3933520 OBDepict H 3 C N H CH 3 S O O N H N N H N N H N O CH 3 H 3 C IC50 < 20.0 nM 495.61 CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N(C)C)cc2)nc2c1CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3947913 OBDepict CH 3 O HN N N N O N H NH H 3 C S N H O O IC50 < 20.0 nM 565.7 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCC3)n1)C(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3937080 OBDepict CH 3 O N H N N N O N H NH CH 3 N S CH 3 O O CH 3 IC50 < 20.0 nM 539.66 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)C(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL4112034 OBDepict CH 3 O HN N N N O N H NH H H 3 C S N H O O IC50 < 20.0 nM 565.7 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCC3)n1)[C@H](C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3949300 OBDepict CH 3 O HN N N N O NH N H H 3 C H 3 C N H O H 3 C IC50 < 20.0 nM 503.61 CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3896626 OBDepict CH 3 O N H N N N O N H N H S N H O O IC50 < 20.0 nM 551.67 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCC3)n1)CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3965442 OBDepict CH 3 N H S O O N H N N N H N H O CH 3 N O IC50 < 20.0 nM 539.66 CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3912539 OBDepict CH 3 O NH N N N O HN N H S N H O O H 3 C CH 3 IC50 < 20.0 nM 539.66 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3967797 OBDepict CH 3 N H S O O N H N N H N N H O CH 3 N O IC50 < 20.0 nM 525.64 CCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3941707 OBDepict CH 3 N H CH 3 S O O N H N N N H N H O CH 3 N O IC50 < 20.0 nM 553.69 CCC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3915406 OBDepict H 3 C N H CH 3 S O O N H N N H N N H N O IC50 < 20.0 nM 509.64 CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)nc2c1CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3899895 OBDepict H 3 C N H O N H N N NH N H S HN O O CH 3 CH 3 IC50 < 20.0 nM 481.58 CNC(=O)c1ccc(Nc2nc3c(c(Nc4ccccc4S(=O)(=O)NC(C)C)n2)CCN3)cc1 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3927886 OBDepict OH N H N N N H N H S N H O O H 3 C CH 3 IC50 < 20.0 nM 454.56 CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CO)cc2)nc2c1CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3911069 OBDepict H 3 C N H CH 3 S O O N H N N H N N H F N O IC50 < 20.0 nM 527.63 CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nc2c1CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3895395 OBDepict H 3 C N H CH 3 S O O N H N N H N N H N N O IC50 < 20.0 nM 510.62 CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)nc2)nc2c1CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3980018 OBDepict CH 3 O NH N N N HN N H N H 3 C CH 3 S N H O O H 3 C CH 3 IC50 < 20.0 nM 580.76 COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3918815 OBDepict CH 3 NH H 3 C S O O HN N N H N NH N H O H 3 C IC50 < 20.0 nM 481.58 CC(=O)Nc1ccc(Nc2nc3c(c(Nc4ccccc4S(=O)(=O)NC(C)C)n2)CCN3)cc1 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3971936 OBDepict H 3 C N H CH 3 S O O N H N N H N N H N O IC50 < 20.0 nM 521.65 CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N3CCCC3)cc2)nc2c1CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3906918 OBDepict OH N O NH H 3 C N N HN N H S N H O O H 3 C CH 3 IC50 < 20.0 nM 567.72 COc1cc(N2CCC(CO)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3932107 OBDepict H 3 C N H CH 3 S O O N H N N H N N H N H 3 C IC50 < 20.0 nM 535.72 CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(C)N3CCCCC3)cc2)nc2c1CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3947737 OBDepict CH 3 O N H S O O N H N N NH HN CH 3 CH 3 O H 3 C N O IC50 < 20.0 nM 583.72 COCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3984491 OBDepict H 3 C O NH N N N O HN N H CH 3 CH 3 S N H O O CH 3 CH 3 H 3 C IC50 < 20.0 nM 581.74 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)(C)C)n1)C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3942677 OBDepict CH 3 N H O N H N NH N HN CH 3 CH 3 O O IC50 < 20.0 nM 446.51 CNC(=O)c1ccccc1Nc1nc(Nc2cccc3c2OCCO3)nc2c1C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3942122 OBDepict CH 3 NH O N H N N NH HN CH 3 CH 3 O IC50 < 20.0 nM 428.5 CNC(=O)c1ccccc1Nc1nc(Nc2cccc3ccoc23)nc2c1C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3961668 OBDepict CH 3 O HN N N N O NH N H S N H O O H 3 C IC50 < 20.0 nM 537.65 CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3892670 OBDepict H 3 C O HN N N N O NH N H S N H O O H 3 C H 3 C CH 3 IC50 < 20.0 nM 579.73 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)(C)C)n1)C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3975901 OBDepict H 3 C O N H N N N O NH N H S HN O O CH 3 CH 3 IC50 < 20.0 nM 579.73 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCC(C)C)n1)C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3901621 OBDepict H 3 C O HN N N N O NH N H S N H O O CH 3 H 3 C IC50 < 20.0 nM 565.7 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3936925 OBDepict H 3 C N H S O O N H N HN N NH O CH 3 N O IC50 < 20.0 nM 551.67 CCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3914879 OBDepict CH 3 O N H N N N O HN N H S NH O O IC50 < 20.0 nM 577.71 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCC3CC3)n1)C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3985139 OBDepict H 3 C O N H S O O N H N N HN NH O CH 3 N O IC50 < 20.0 nM 581.7 COCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3982805 OBDepict H 2 C N H S O O N H N N HN NH O CH 3 N O IC50 < 20.0 nM 563.68 C=CCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3923580 OBDepict H 3 C N H CH 3 S O O N H N N HN NH O CH 3 N O IC50 < 20.0 nM 579.73 CCC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3895587 OBDepict H 3 C N H S O O N H N N HN NH O CH 3 N O IC50 < 20.0 nM 565.7 CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3908546 OBDepict CH 3 O N H N N N O N H HN S HN O O IC50 < 20.0 nM 577.71 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCC3)n1)C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3986981 OBDepict H 3 C O HN N N N O NH N H S N O O H 3 C H 3 C IC50 < 20.0 nM 551.67 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)N(C)C)n1)C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3915096 OBDepict H 3 C O N H N N N O N H NH NH O CH 3 IC50 < 20.0 nM 501.59 CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3908380 OBDepict CH 3 O N H N N N O HN N H N S CH 3 O O CH 3 IC50 < 20.0 nM 551.67 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3963488 OBDepict CH 3 O O HN CH 3 O CH 3 N N N H NH S N H O O H 3 C IC50 < 20.0 nM 512.59 CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2c1C1(CC1)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3952170 OBDepict CH 3 N H S O O N H N N NH CH 3 HN O H 3 C N O IC50 < 20.0 nM 553.69 CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3940192 OBDepict H 3 C N H S O O N H N NH N HN CH 3 CH 3 O H 3 C N O IC50 < 20.0 nM 553.69 CCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3915673 OBDepict CH 3 O N H S O O N H N N NH HN CH 3 CH 3 O H 3 C N O IC50 < 20.0 nM 597.74 COCCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3923581 OBDepict CH 3 O HN N N N O NH N H H 3 C H 3 C S N O O H 3 C H 3 C IC50 < 20.0 nM 553.69 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)N(C)C)n1)C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3955195 OBDepict CH 3 O NH N N N O HN N H S N H O O H 3 C CH 3 IC50 < 20.0 nM 547.64 COc1cc(-n2ccccc2=O)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3904434 OBDepict H 3 C O N H N H N N N N H NH O S HN O O CH 3 CH 3 IC50 < 20.0 nM 582.73 COc1cc(NCCN2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3975280 OBDepict CH 3 O NH N N N HN N H HO S N H O O H 3 C CH 3 IC50 < 20.0 nM 553.69 COc1cc(N2CCC(O)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3913439 OBDepict CH 3 O NH N N N S HN N H O O S N H O O H 3 C CH 3 IC50 < 20.0 nM 587.73 COc1cc(N2CCS(=O)(=O)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3918922 OBDepict CH 3 O N H N N N N NH N H H 3 C CH 3 S HN O O CH 3 CH 3 IC50 < 20.0 nM 566.73 COc1cc(N2CCC(N(C)C)C2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3890853 OBDepict CH 3 O N H N N N H 3 C N CH 3 NH N H S HN O O CH 3 CH 3 IC50 < 20.0 nM 548.67 COc1cc(-n2cc(C)nc2C)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3979330 OBDepict CH 3 N H CH 3 S O O N H N N NH HN CH 3 CH 3 O H 3 C N O IC50 < 20.0 nM 581.74 CCC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3943268 OBDepict H 3 C O NH N N N O HN N H CH 3 S N H O O H 3 C CH 3 IC50 < 20.0 nM 553.69 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)C(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3908536 OBDepict CH 3 O NH N N N O HN N H S N H O O H 3 C CH 3 IC50 < 20.0 nM 551.67 COc1cc(N2CCCCC2=O)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3899566 OBDepict CH 3 O HN N N N O NH N H H 3 C H 3 C S N H O O H 3 C IC50 < 20.0 nM 539.66 CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3935375 OBDepict CH 3 O HN N N N O N H NH H 3 C H 3 C S N H O O IC50 < 20.0 nM 579.73 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCC3)n1)C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3932350 OBDepict CH 3 O NH N N N O HN N H CH 3 CH 3 S N H O O H 3 C CH 3 IC50 < 20.0 nM 567.72 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3971896 OBDepict CH 3 N H S O O N H N N NH HN CH 3 CH 3 O H 3 C N O IC50 < 20.0 nM 567.72 CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3933115 OBDepict H 3 C O N H N N N O NH N H CH 3 CH 3 S HN O O CH 3 CH 3 IC50 < 20.0 nM 581.74 COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCC(C)C)n1)C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3896031 OBDepict CH 3 N H S O O N H N N NH HN CH 3 CH 3 O H 3 C N O IC50 < 20.0 nM 581.74 CCCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL3920980 OBDepict CH 3 O HN N N N O NH N H H 3 C S N H O O H 3 C IC50 < 20.0 nM 525.64 CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)CN2 Homo sapiens CHEMBL3888996 single protein format
CHEMBL2448536 OBDepict CH 3 + S N _ O CH 3 N H N N N H F F F H H N CH 3 H 3 C IC50 = 21.0 nM 470.57 CC[S+]([O-])(=NC)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@@H]3CCC[C@H]3N(C)C)n2)cc1 Homo sapiens CHEMBL1787944 single protein format
CHEMBL2029182 OBDepict CH 3 N H 3 C H H N H N N N H F F F + S N CH 3 _ O CH 3 CH 3 IC50 = 22.0 nM 484.59 CC(C)N=[S+](C)([O-])c1ccc(Nc2ncc(C(F)(F)F)c(N[C@@H]3CCC[C@H]3N(C)C)n2)cc1 Homo sapiens CHEMBL1787944 single protein format
CHEMBL4874046 OBDepict CH 3 N H O N H N N N H F F F O CH 3 IC50 = 24.47 nM 417.39 CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3OC)n2)cc1 Homo sapiens CHEMBL4824343 single protein format
CHEMBL2207439 OBDepict O HN N H N N N N H CH 3 H 3 C CH 3 N H 3 C N IC50 = 25.0 nM 454.54 Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cc(-c3ccc4nccn4c3)[nH]n2)cc1 Homo sapiens CHEMBL2209550 single protein format
CHEMBL487057 OBDepict CH 3 N H 3 C H H N H N N NH F F F S N O O H 3 C IC50 = 25.0 nM 470.52 CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(c2)CN(C)S3(=O)=O)ncc1C(F)(F)F Homo sapiens CHEMBL960612 single protein format
CHEMBL3939286 OBDepict O N N S HN N O O CH 3 N N N H F F F IC50 = 26.0 nM 595.61 CS(=O)(=O)N1Cc2cccc(c2)C(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21 Homo sapiens CHEMBL3873676 cell-based format
CHEMBL3914036 OBDepict O N N S N O O CH 3 HN N H N N F F F IC50 = 30.0 nM 547.56 CS(=O)(=O)N1CCCC(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21 Homo sapiens CHEMBL3873676 cell-based format
CHEMBL541649 OBDepict O N H N H N N N H F F F N S CH 3 O O CH 3 ClH IC50 = 31.0 nM 542.97 CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O.Cl Homo sapiens CHEMBL929143 single protein format
CHEMBL2207823 OBDepict O HN N H N N N H H 3 C H 3 C CH 3 N O H 3 C IC50 = 31.0 nM 484.6 Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3cc(C(=O)N4CCCC4)[nH]c23)cc1 Homo sapiens CHEMBL2209550 single protein format
CHEMBL472212 OBDepict O N H HN N N N H F F F N S H 3 C O O H 3 C IC50 = 31.0 nM 506.51 CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O Homo sapiens CHEMBL962346 single protein format