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Q13085 | ACACA_HUMAN | Acetyl-CoA carboxylase 1 (ACACA)

3D structures mapped by conservation among orthologs

[ Domain: "Helical domain in acetyl-CoA carboxylase" // ACC_central_1st ]

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[ Domain: "PreATP-grasp domain" // Biotin_carb_N ]

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[ Domain: "Acetyl-CoA carboxylase AC4 and AC5 domains" // ACC_central_2nd ]

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[ Domain: "ATP-grasp" // ATP-grasp ]

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[ Domain: "ClpP/crotonase" // Carboxyl_trans_C ]

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[ Domain: "CO dehydrogenase molybdoprotein N-domain-like" // Biotin_carb_C ]

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[ Domain: "Single hybrid motif" // Biotin_lipoyl ]

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[ Domain: "Barrel domain in methylcrotonyl-CoA carboxylase alpha-subunit" // KOG0368 ]

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[ Domain: "Four-helical bundle in acetyl-CoA carboxylase" // ACC_central_1st_1 ]

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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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4073202 OBDepict NH 2 N H O H 3 C H O O N O O IC50 = 0.58 nM 423.47 C[C@@H](COc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)o1)NC(N)=O Homo sapiens CHEMBL4027523 cell-based format
CHEMBL4086127 OBDepict CH 3 N H O H 3 C H O O N N O O IC50 = 0.96 nM 423.47 CC(=O)N[C@@H](C)COc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)nc2)o1 Homo sapiens CHEMBL4027523 cell-based format
CHEMBL4085633 OBDepict CH 3 N H O H 3 C H O O N O O IC50 = 0.96 nM 422.48 CC(=O)N[C@@H](C)COc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)o1 Homo sapiens CHEMBL4027523 cell-based format
CHEMBL4777068 OBDepict NH 2 N N O O O N N H 3 C CH 3 H 3 C IC50 = 1.29 nM 509.61 CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccc(N)cc4)nc4ccccc34)CC1)O2 Homo sapiens CHEMBL4735021 cell-based format
CHEMBL4528475 OBDepict NH 2 N H O H 3 C O N N O O IC50 = 1.5 nM 444.49 CC(NC(N)=O)c1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)nc3)oc2c1 Homo sapiens CHEMBL4410467 cell-based format
CHEMBL2419600 OBDepict CH 3 NH N N O N H O N N CH 3 CH 3 H 3 C IC50 = 1.8 nM 474.61 CCCNc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL2422748 single protein format
CHEMBL4060253 OBDepict CH 3 N H O H 3 C O N N O O IC50 = 1.8 nM 443.5 CC(=O)NC(C)c1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)nc3)oc2c1 Homo sapiens CHEMBL4027523 cell-based format
CHEMBL4435891 OBDepict O N N H CH 3 H 3 C H 3 C O N N O O IC50 = 2.1 nM 472.55 CC(NC(=O)N(C)C)c1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)nc3)oc2c1 Homo sapiens CHEMBL4410467 cell-based format
CHEMBL2323626 OBDepict CH 3 N H N N O O N N H 3 C CH 3 H 3 C IC50 = 2.2 nM 445.57 CNc1ccc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3nn(C(C)(C)C)cc3C4)cc2n1 Homo sapiens CHEMBL2329346 single protein format
CHEMBL4792495 OBDepict CH 3 N N O O O N N H 3 C CH 3 H 3 C IC50 = 2.22 nM 508.62 Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC(=O)c3nn(C(C)(C)C)cc3O4)c3ccccc3n2)cc1 Homo sapiens CHEMBL4735021 cell-based format
CHEMBL3407547 OBDepict H 3 C O O H N O N S O O H 3 C H 3 C O HO CH 3 N O IC50 = 2.6 nM 569.64 COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1 Homo sapiens CHEMBL3412273 single protein format
CHEMBL4777090 OBDepict O N N O O N N N H 3 C CH 3 CH 3 CH 3 H 3 C IC50 = 2.72 nM 537.66 CN(C)c1ccc(-c2cc(C(=O)N3CCC4(CC3)CC(=O)c3nn(C(C)(C)C)cc3O4)c3ccccc3n2)cc1 Homo sapiens CHEMBL4735021 cell-based format
CHEMBL4557289 OBDepict CH 3 O H 3 C N N O O O N O OH IC50 = 3.0 nM 565.63 COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1 Homo sapiens CHEMBL4344283 single protein format
CHEMBL4793476 OBDepict CH 3 O N N O O O N N H 3 C CH 3 H 3 C IC50 = 3.18 nM 524.62 COc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC(=O)c3nn(C(C)(C)C)cc3O4)c3ccccc3n2)cc1 Homo sapiens CHEMBL4735021 cell-based format
CHEMBL3699916 OBDepict O N N N H NH O N N CH 3 H 3 C CH 3 IC50 = 3.4 nM 486.62 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4ccc(NC5CCC5)nc4c3)CC1)C2 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL4750081 OBDepict CH 3 O O CH 3 N N O O O N N H 3 C CH 3 H 3 C IC50 = 3.57 nM 554.65 COc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC(=O)c3nn(C(C)(C)C)cc3O4)c3ccccc3n2)cc1OC Homo sapiens CHEMBL4735021 cell-based format
CHEMBL4577890 OBDepict CH 3 N H N H O H 3 C O N N O O IC50 = 3.8 nM 458.52 CNC(=O)NC(C)c1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)nc3)oc2c1 Homo sapiens CHEMBL4410467 cell-based format
CHEMBL4090919 OBDepict H 3 C NH O CH 3 O N O O IC50 = 4.9 nM 420.51 CC(=O)NC(C)CCc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)o1 Homo sapiens CHEMBL4027523 cell-based format
CHEMBL2419589 OBDepict O N N NH N CH 3 CH 3 O N N H 3 C CH 3 H 3 C IC50 = 5.0 nM 460.58 CN(C)c1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL2422748 single protein format
CHEMBL2323628 OBDepict CH 3 O N N O O N N H 3 C CH 3 IC50 = 5.0 nM 432.52 COc1ccc2ncc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2c1 Homo sapiens CHEMBL2329346 single protein format
CHEMBL4098647 OBDepict CH 3 N H O H 3 C O N O O IC50 = 5.3 nM 442.52 CC(=O)NC(C)c1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)cc3)oc2c1 Homo sapiens CHEMBL4027523 cell-based format
CHEMBL4784855 OBDepict Br N N O O O N N H 3 C CH 3 H 3 C IC50 = 5.67 nM 573.49 CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccc(Br)cc4)nc4ccccc34)CC1)O2 Homo sapiens CHEMBL4735021 cell-based format
CHEMBL3699893 OBDepict CH 3 O N O N H O N N CH 3 CH 3 H 3 C IC50 = 5.8 nM 446.55 COc1cccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL4064621 OBDepict CH 3 N H O H 3 C H O O N N O O IC50 = 5.8 nM 423.47 CC(=O)N[C@@H](C)COc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cn2)o1 Homo sapiens CHEMBL4027523 cell-based format
CHEMBL4795824 OBDepict O N N O O N N CH 3 CH 3 CH 3 IC50 = 6.0 nM 494.6 CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC1)O2 Homo sapiens CHEMBL4735021 cell-based format
CHEMBL2419598 OBDepict CH 3 NH N N O N H O N N CH 3 CH 3 H 3 C IC50 = 6.0 nM 446.56 CNc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL2422748 single protein format
CHEMBL4746597 OBDepict Cl N N O O O N N H 3 C CH 3 H 3 C IC50 = 6.09 nM 529.04 CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)CC1)O2 Homo sapiens CHEMBL4735021 cell-based format
CHEMBL3699914 OBDepict CH 3 NH H 3 C N N O N H O N N CH 3 CH 3 H 3 C IC50 = 6.1 nM 474.61 CC(C)Nc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL3699929 OBDepict O N N HN N H O N N F F F CH 3 CH 3 CH 3 IC50 = 6.5 nM 514.55 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4ccc(NCC(F)(F)F)nc4c3)CC1)C2 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL3699871 OBDepict CH 3 N H N N O CH 3 N H O N N CH 3 CH 3 H 3 C IC50 = 6.6 nM 436.56 CC1=CC(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)=CC2C(C)=NNC12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL2419593 OBDepict O N N H HN Cl O N N CH 3 CH 3 CH 3 IC50 = 7.0 nM 439.95 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4c(Cl)c[nH]c4c3)CC1)C2 Homo sapiens CHEMBL2422748 single protein format
CHEMBL4082153 OBDepict CH 3 N H O H 3 C O N N O O IC50 = 7.1 nM 443.5 CC(=O)NC(C)c1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)cn3)oc2c1 Homo sapiens CHEMBL4027523 cell-based format
CHEMBL3699881 OBDepict H 3 C O N CH 3 H N O NH O N N H 3 C CH 3 H 3 C IC50 = 7.4 nM 449.56 COc1ccc(C)c2[nH]c(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL4101119 OBDepict CH 3 N H O H 3 C N S N O O IC50 = 7.4 nM 459.57 CC(=O)NC(C)c1ccc2sc(-c3ccc(Oc4cccc(OCC5CC5)c4)nc3)nc2c1 Homo sapiens CHEMBL4027523 cell-based format
CHEMBL3699913 OBDepict O N N N H NH O N N CH 3 H 3 C CH 3 IC50 = 7.5 nM 472.59 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4ccc(NC5CC5)nc4c3)CC1)C2 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL4753907 OBDepict CH 3 N CH 3 N N O O HO O N N CH 3 H 3 C IC50 = 7.7 nM 515.61 CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3cc(-c4ccc(C(=O)O)cc4)nc(N(C)C)c3)CC1)C2 Homo sapiens CHEMBL4669981 single protein format
CHEMBL3699886 OBDepict O N CH 3 N Cl N HN H O N N CH 3 CH 3 CH 3 IC50 = 8.4 nM 454.96 Cc1cc(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)cc2c(Cl)n[nH]c12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL3699875 OBDepict CH 3 O N O N H O N N CH 3 CH 3 H 3 C IC50 = 8.5 nM 446.55 COc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2c1 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL3699918 OBDepict CH 3 NH N N O N H O N N CH 3 CH 3 H 3 C IC50 = 8.9 nM 460.58 CCNc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL3699930 OBDepict O N N NH N H O N N F F CH 3 H 3 C CH 3 H 3 C IC50 = 9.0 nM 510.59 CC(F)(F)CNc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL4800274 OBDepict F N N O O O N N H 3 C CH 3 H 3 C IC50 = 9.4 nM 512.59 CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)CC1)O2 Homo sapiens CHEMBL4735021 cell-based format
CHEMBL2419596 OBDepict CH 3 O N N O N H O N N CH 3 CH 3 H 3 C IC50 = 10.0 nM 447.54 COc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL2422748 single protein format
CHEMBL2419597 OBDepict CH 3 O N N O N H O N N CH 3 CH 3 H 3 C IC50 = 11.0 nM 447.54 COc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL2422748 single protein format
CHEMBL2419594 OBDepict O N N N H HN Cl O N N CH 3 CH 3 CH 3 IC50 = 11.0 nM 440.94 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3cnc4c(Cl)c[nH]c4c3)CC1)C2 Homo sapiens CHEMBL2422748 single protein format
CHEMBL2323629 OBDepict O N N H O H 2 N O N N H 3 C CH 3 IC50 = 11.0 nM 433.51 CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4[nH]c(C(N)=O)cc4c3)CC1)C2 Homo sapiens CHEMBL2329346 single protein format
CHEMBL4791989 OBDepict O N N O N O N N CH 3 CH 3 CH 3 IC50 = 11.31 nM 495.58 CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccncc4)nc4ccccc34)CC1)O2 Homo sapiens CHEMBL4735021 cell-based format
CHEMBL2323627 OBDepict NH 2 N N O O N N H 3 C CH 3 IC50 = 12.0 nM 417.51 CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4ccc(N)nc4c3)CC1)C2 Homo sapiens CHEMBL2329346 single protein format
CHEMBL567291 OBDepict CH 3 O O N H CH 3 O CH 3 IC50 = 13.0 nM 389.5 CCCOc1cccc(Oc2ccc(-c3ccc(C(C)NC(C)=O)cc3)cc2)c1 Homo sapiens CHEMBL1048878 assay format
CHEMBL2419592 OBDepict O N N Cl HN H O N N CH 3 CH 3 CH 3 IC50 = 13.0 nM 439.95 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]cc(Cl)c4c3)CC1)C2 Homo sapiens CHEMBL2422748 single protein format
CHEMBL4779539 OBDepict O N N N O O N N CH 3 CH 3 CH 3 IC50 = 13.84 nM 495.58 CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccccn4)nc4ccccc34)CC1)O2 Homo sapiens CHEMBL4735021 cell-based format
CHEMBL567281 OBDepict H 3 C NH O CH 3 O O IC50 = 14.0 nM 423.51 CC(=O)NC(C)c1ccc(-c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)cc1 Homo sapiens CHEMBL1048878 assay format
CHEMBL4742115 OBDepict CH 3 HN O CH 3 O F F O O IC50 = 15.0 nM 467.51 CC(=O)NC(C)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)cc1 Homo sapiens CHEMBL4714232 cell-based format
CHEMBL3699877 OBDepict H 3 C O N N O O CH 3 N H O N N CH 3 CH 3 H 3 C IC50 = 15.0 nM 477.57 COc1cc(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)nc2c(OC)cccc12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL3699915 OBDepict CH 3 N CH 3 N N O N H O N N CH 3 CH 3 H 3 C IC50 = 15.0 nM 474.61 CCN(C)c1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL565818 OBDepict CH 3 HN O H 3 C CH 3 O O H 3 C CH 3 IC50 = 16.0 nM 403.52 CC(=O)NC(C)c1ccc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2C)cc1 Homo sapiens CHEMBL1048878 assay format
CHEMBL3699924 OBDepict O N N N H HN O N N CH 3 H 3 C CH 3 IC50 = 17.0 nM 486.62 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4ccnc(NC5CCC5)c4c3)CC1)C2 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL2419591 OBDepict O N N Cl N HN H O N N CH 3 CH 3 CH 3 IC50 = 17.0 nM 440.94 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]nc(Cl)c4c3)CC1)C2 Homo sapiens CHEMBL2422748 single protein format
CHEMBL3699927 OBDepict CH 3 HN N N O N H O N N CH 3 CH 3 H 3 C IC50 = 17.0 nM 460.58 CCNc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL4762802 OBDepict CH 3 HN O CH 3 N O F F O O IC50 = 17.0 nM 468.5 CC(=O)NC(C)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)nc1 Homo sapiens CHEMBL4714232 cell-based format
CHEMBL567935 OBDepict CH 3 O O N H CH 3 O CH 3 IC50 = 17.0 nM 389.5 CCCOc1ccc(Oc2ccc(-c3ccc(C(C)NC(C)=O)cc3)cc2)cc1 Homo sapiens CHEMBL1048878 assay format
CHEMBL4762472 OBDepict CH 3 N H 3 C N N O O O OH O N N CH 3 CH 3 CH 3 IC50 = 17.0 nM 531.61 CN(C)c1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)cc(-c2ccc(C(=O)O)cc2)n1 Homo sapiens CHEMBL4669981 single protein format
CHEMBL567936 OBDepict H 3 C NH O CH 3 O O CH 3 H 3 C IC50 = 17.0 nM 389.5 CC(=O)NC(C)c1ccc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2)cc1 Homo sapiens CHEMBL1048878 assay format
CHEMBL3699889 OBDepict CH 3 O N N N O H N H O N N CH 3 CH 3 H 3 C IC50 = 17.0 nM 436.52 COc1cc(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)cc2[nH]ncc12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL3699903 OBDepict CH 3 O N H N N O CH 3 N H O N N CH 3 CH 3 H 3 C IC50 = 17.0 nM 450.54 COc1cc(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)cc2c(C)n[nH]c12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL2419599 OBDepict CH 3 HN N N O N H O N N CH 3 CH 3 H 3 C IC50 = 18.0 nM 446.56 CNc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL2422748 single protein format
CHEMBL3699896 OBDepict CH 3 O N N O N H O N N CH 3 CH 3 H 3 C IC50 = 18.0 nM 447.54 COc1cccc2ncc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL2419601 OBDepict O N N N O H O N N H 3 C CH 3 H 3 C IC50 = 19.0 nM 407.47 CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)O2 Homo sapiens CHEMBL2422748 single protein format
CHEMBL3699922 OBDepict H 3 C NH CH 3 N N O N H O N N CH 3 H 3 C CH 3 IC50 = 20.0 nM 474.61 CC(C)Nc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL221169 OBDepict H 3 C NH O CH 3 H O N S N O O CH 3 H 3 C IC50 = 20.0 nM 387.46 CC(=O)N[C@@H](C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)no1 Homo sapiens CHEMBL916199 cell-based format
CHEMBL3699880 OBDepict O N N N HN H O H 2 N O N N CH 3 CH 3 CH 3 IC50 = 21.0 nM 449.52 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]nc(C(N)=O)c4c3)CC1)C2 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL2059303 OBDepict CH 3 HN N H O S N O O CH 3 N O N O N IC50 = 21.0 nM 582.73 CCNC(=O)Nc1sc2c(OC)cccc2c1C(=O)N1CCC(N2CCCC3(C2)C(=O)N2CCCCN2C3=O)CC1 Homo sapiens CHEMBL2060084 single protein format
CHEMBL3699873 OBDepict CH 3 N H N N O CH 3 N H O N N HO H 3 C CH 3 IC50 = 21.0 nM 452.56 CC1=CC(C(=O)N2CCC3(CC2)Cc2cn(CC(C)(C)O)nc2C(=O)N3)=CC2C(C)=NNC12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL2059099 OBDepict CH 3 HN N H O S N O N O N O N IC50 = 22.0 nM 580.76 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCCC3(C2)C(=O)N2CCCCCCN2C3=O)CC1 Homo sapiens CHEMBL2060084 single protein format
CHEMBL2059301 OBDepict CH 3 O S N H N O O H 2 N N O N O N IC50 = 22.0 nM 554.67 COc1cccc2c(C(=O)N3CCC(N4CCCC5(C4)C(=O)N4CCCCN4C5=O)CC3)c(NC(N)=O)sc12 Homo sapiens CHEMBL2060084 single protein format
CHEMBL4743101 OBDepict H 3 C O N N O O O OH O N N CH 3 CH 3 CH 3 IC50 = 22.0 nM 518.57 COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)cc(-c2ccc(C(=O)O)cc2)n1 Homo sapiens CHEMBL4669981 single protein format
CHEMBL4086054 OBDepict CH 3 N H O CH 3 O N N O O IC50 = 23.0 nM 421.5 CC(=O)NC(C)c1ccc2nc(N3CC(Oc4cccc(OCC5CC5)c4)C3)oc2c1 Homo sapiens CHEMBL4027523 cell-based format
CHEMBL3699825 OBDepict CH 3 O N H N N O N H O N N CH 3 CH 3 H 3 C IC50 = 23.0 nM 436.52 COc1cc(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)cc2cn[nH]c12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL2419607 OBDepict H 3 C N CH 3 H 3 C N O NH N O CH 3 N H 3 C N H IC50 = 23.0 nM 448.57 CCC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC1)C2 Homo sapiens CHEMBL2422748 single protein format
CHEMBL3699925 OBDepict CH 3 HN N N O N H O N N CH 3 CH 3 H 3 C IC50 = 24.0 nM 474.61 CCCNc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL2059302 OBDepict H 3 C HN N H O S N O O CH 3 N O N O N IC50 = 25.0 nM 568.7 CNC(=O)Nc1sc2c(OC)cccc2c1C(=O)N1CCC(N2CCCC3(C2)C(=O)N2CCCCN2C3=O)CC1 Homo sapiens CHEMBL2060084 single protein format
CHEMBL4083131 OBDepict CH 3 N H O H 3 C S O O IC50 = 26.0 nM 457.6 CC(=O)NC(C)c1ccc2sc(-c3ccc(Oc4cccc(OCC5CC5)c4)cc3)cc2c1 Homo sapiens CHEMBL4027523 cell-based format
CHEMBL3699870 OBDepict CH 3 N H N N O N H O N N CH 3 CH 3 H 3 C IC50 = 26.0 nM 422.53 CC1=CC(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)=CC2C=NNC12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL3699917 OBDepict CH 3 O NH N N O N H O N N CH 3 CH 3 H 3 C IC50 = 27.0 nM 490.61 COCCNc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL3359265 OBDepict O N N N H CH 3 O N N H 3 C H 3 C IC50 = 27.0 nM 405.5 Cc1nc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2[nH]1 Homo sapiens CHEMBL3387921 single protein format
CHEMBL2419604 OBDepict O N CH 3 N CH 3 N NH H O N N H 3 C CH 3 H 3 C IC50 = 28.0 nM 434.54 Cc1n[nH]c2c(C)cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL2422748 single protein format
CHEMBL3699894 OBDepict NH 2 N N O HN O N N CH 3 CH 3 CH 3 IC50 = 28.0 nM 432.53 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4ccc(N)nc4c3)CC1)C2 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL220563 OBDepict H 3 C NH O CH 3 S N O O IC50 = 28.0 nM 384.5 CC(=O)NC(C)C#Cc1cnc(Oc2ccc(OCC3CCCC3)cc2)s1 Homo sapiens CHEMBL855116 single protein format
CHEMBL212460 OBDepict H 3 C NH O CH 3 O O CH 3 H 3 C IC50 = 29.0 nM 337.42 CC(=O)NC(C)C#Cc1ccc(Oc2ccc(OC(C)C)cc2)cc1 Homo sapiens CHEMBL867452 cell-based format
CHEMBL3699921 OBDepict O N N HN N H O N N CH 3 CH 3 H 3 C IC50 = 29.0 nM 472.59 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4ccnc(NC5CC5)c4c3)CC1)C2 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL3699869 OBDepict CH 3 N H N N O CH 3 N H O N N H 3 C CH 3 IC50 = 29.0 nM 422.53 CC1=CC(C(=O)N2CCC3(CC2)Cc2cn(C(C)C)nc2C(=O)N3)=CC2C(C)=NNC12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL3699874 OBDepict CH 3 O N N O N H O N N CH 3 CH 3 H 3 C IC50 = 30.0 nM 447.54 COc1ccc2ncc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2c1 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL3699876 OBDepict CH 3 O N O N H O N N CH 3 CH 3 H 3 C IC50 = 30.0 nM 446.55 COc1cccc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL4764202 OBDepict CH 3 HN O CH 3 N N O F F O O IC50 = 31.0 nM 469.49 CC(=O)NC(C)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)nn1 Homo sapiens CHEMBL4714232 cell-based format
CHEMBL4567446 OBDepict CH 3 O N N O O OH O N N H 3 C CH 3 IC50 = 31.0 nM 502.57 COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(cnn2C(C)C)C3)cc(-c2ccc(C(=O)O)cc2)n1 Homo sapiens CHEMBL4344283 single protein format
CHEMBL1910404 OBDepict CH 3 HN N H O S N O N O O H 3 C H 3 C IC50 = 32.0 nM 512.68 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCC[C@@]3(C2)CC(C)(C)OC3=O)CC1 Homo sapiens CHEMBL1912972 single protein format
CHEMBL1958360 OBDepict O N CH 3 N N O H O N N CH 3 CH 3 H 3 C IC50 = 32.0 nM 421.5 Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)cc2cn[nH]c12 Homo sapiens CHEMBL4234939 cell-based format
CHEMBL3699855 OBDepict CH 3 NH N N O N H O N N H 3 C H 3 C IC50 = 33.0 nM 432.53 CNc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)cc2n1 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL566024 OBDepict CH 3 O O N N H H 3 C H O CH 3 IC50 = 35.0 nM 390.48 CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(C)=O)cc3)cn2)cc1 Homo sapiens CHEMBL1048878 assay format
CHEMBL3699838 OBDepict H 3 C O N N H N O N H O N N H 3 C H 3 C IC50 = 35.0 nM 424.51 COC1=CC(C(=O)N2CCC3(CC2)Cc2cnn(C(C)C)c2C(=O)N3)=CC2NN=CC12 Homo sapiens CHEMBL3706245 cell-based format
CHEMBL565418 OBDepict H 3 C NH O CH 3 O O IC50 = 35.0 nM 435.52 CC(=O)NC(C)c1ccc(-c2ccc(Oc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1 Homo sapiens CHEMBL1048878 assay format