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P42345 | MTOR_HUMAN | Serine/threonine-protein kinase mTOR (MTOR)

3D structures mapped by conservation among orthologs

[ Domain: "ARM repeat" // FAT ]

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[ Domain: "Protein kinase" // PI3_PI4_kinase ]

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[ Domain: "FKBP12-rapamycin-binding domain of FKBP-rapamycin-associated protein (FRAP)" // FRB_dom ]

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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
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -2000.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804380 cell-based format
CHEMBL3645910 OBDepict CH 3 N N N F Cl NH 2 N O N H IC50 = 0.07 nM 505.0 CCc1ncnc(-c2cc(F)c(C(=O)N3CCN4CCC[C@H]4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Homo sapiens CHEMBL3706089 single protein format
CHEMBL558955 OBDepict H 3 C O N O N N N N N O N H HN O OH IC50 = 0.08 nM 586.65 COC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5ccc(CO)cc5)cc4)nc32)CC1 Homo sapiens CHEMBL1058638 cell-based format
CHEMBL566216 OBDepict OH N H NH O N N N N N H 3 C O IC50 = 0.1 nM 499.58 CCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)Nc4ccc(CO)cc4)cc3)nc21 Homo sapiens CHEMBL1039195 cell-based format
CHEMBL566004 OBDepict CH 3 N N N N N O N H NH O N IC50 = 0.1 nM 470.54 CCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)Nc4cccnc4)cc3)nc21 Homo sapiens CHEMBL1039195 cell-based format
CHEMBL585480 OBDepict OH N H HN O N N N N N CH 3 O IC50 = 0.1 nM 513.6 CCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)Nc4ccc(CCO)cc4)cc3)nc21 Homo sapiens CHEMBL1039195 cell-based format
CHEMBL573157 OBDepict H 3 C O N O N N N N N O N H NH O N IC50 = 0.11 nM 583.65 COC(=O)N1CCC(n2ncc3c(N4CC5CCC(C4)O5)nc(-c4ccc(NC(=O)Nc5cccnc5)cc4)nc32)CC1 Homo sapiens CHEMBL1047613 single protein format
CHEMBL3681183 OBDepict CH 3 N O N N H N H HO N N N H Ki = 0.117 nM 415.46 Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cnc5[nH]ncc5c4)ccc3ncc21 Homo sapiens CHEMBL3705453 single protein format
CHEMBL604123 OBDepict H 3 C N H N H O N N N N N H 3 C CH 3 O IC50 = 0.12 nM 421.51 CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C(C)C)c3n2)cc1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL600368 OBDepict O NH N H N N N N N N O O O IC50 = 0.12 nM 582.67 O=C(Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1)Nc1cccnc1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL600367 OBDepict O HN N H N N N N N N O O O IC50 = 0.12 nM 582.67 O=C(Nc1ccncc1)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL3693444 OBDepict CH 3 O O HO N N N N N H H 3 C H CH 3 O O IC50 = 0.15 nM 479.54 COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(=O)O Homo sapiens CHEMBL3705655 single protein format
CHEMBL600366 OBDepict O HN N H N N N N N O O O IC50 = 0.16 nM 581.68 O=C(Nc1ccccc1)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL573202 OBDepict H 3 C O N O N N N N N O N H NH O N IC50 = 0.16 nM 583.65 COC(=O)N1CCC(n2ncc3c(N4C5CCC4COC5)nc(-c4ccc(NC(=O)Nc5cccnc5)cc4)nc32)CC1 Homo sapiens CHEMBL1047613 single protein format
CHEMBL578645 OBDepict CH 3 N H NH O N N N N N O N O O CH 3 IC50 = 0.17 nM 522.61 CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)OCC)CC4)c3n2)cc1 Homo sapiens CHEMBL1047613 single protein format
CHEMBL1091596 OBDepict OH N H N H O N N N N N O O IC50 = 0.18 nM 543.63 O=C(Nc1ccc(CO)cc1)Nc1ccc(-c2nc(N3C4CCC3COC4)nc(N3C4CCC3COC4)n2)cc1 Homo sapiens CHEMBL1108787 single protein format
CHEMBL606423 OBDepict H 3 C NH NH O N N N N N O N O O CH 3 H 3 C IC50 = 0.19 nM 548.65 CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCN(C(=O)OC(C)C)CC4)c3n2)cc1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL575976 OBDepict O NH N H N N N N N N O F F F IC50 = 0.19 nM 524.51 O=C(Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(CC(F)(F)F)c3n2)cc1)Nc1cccnc1 Homo sapiens CHEMBL1047613 single protein format
CHEMBL565583 OBDepict NH 2 N H NH O N N N N N H 3 C O IC50 = 0.2 nM 498.59 CCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)Nc4ccc(CN)cc4)cc3)nc21 Homo sapiens CHEMBL1039195 cell-based format
CHEMBL538378 OBDepict H 3 C O N O N N N N N O N H HN O N IC50 = 0.2 nM 557.62 COC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5cccnc5)cc4)nc32)CC1 Homo sapiens CHEMBL1058638 cell-based format
CHEMBL576091 OBDepict CH 3 N N N N N O N H NH O N O IC50 = 0.2 nM 554.66 CCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)Nc4ccc(N5CCOCC5)cc4)cc3)nc21 Homo sapiens CHEMBL1039195 cell-based format
CHEMBL576090 OBDepict CH 3 N N N N N O N H NH O NH O N IC50 = 0.2 nM 581.68 CCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)NN5CCCC5)cc4)cc3)nc21 Homo sapiens CHEMBL1039195 cell-based format
CHEMBL3645914 OBDepict HO N O F Cl N N CH 3 N NH 2 IC50 = 0.2 nM 493.97 CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(CO)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Homo sapiens CHEMBL3706089 single protein format
CHEMBL1095932 OBDepict CH 3 N H HN O N N N N N O N O O H 3 C H 3 C IC50 = 0.2 nM 522.61 CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)OC(C)C)CC4)c3n2)cc1 Homo sapiens CHEMBL1104613 cell-based format
CHEMBL567172 OBDepict O N H N H N N N N N N O F F F IC50 = 0.2 nM 524.51 O=C(Nc1ccc(-c2nc(N3C4CCC3COC4)c3cnn(CC(F)(F)F)c3n2)cc1)Nc1cccnc1 Homo sapiens CHEMBL1047613 single protein format
CHEMBL577137 OBDepict CH 3 HN HN O N N N N N O N O O H 3 C IC50 = 0.2 nM 534.62 CCNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1 Homo sapiens CHEMBL1047613 single protein format
CHEMBL3577911 OBDepict CH 3 O N HN S O O F F N N N IC50 = 0.2 nM 505.51 COc1ncc(-c2ccc3ncnc(-c4ccncc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL3579762 single protein format
CHEMBL3681103 OBDepict H N N N N N N H 3 C O H H OH Ki = 0.204 nM 364.41 Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cn[nH]c4)ccc3ncc21 Homo sapiens CHEMBL3705453 single protein format
CHEMBL3645963 OBDepict CH 3 N N N F F NH 2 N O N O N H 3 C IC50 = 0.21 nM 543.58 CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(Cc4cc(C)no4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 Homo sapiens CHEMBL3706089 single protein format
CHEMBL601661 OBDepict H 3 C NH NH O N N N N N O O O IC50 = 0.21 nM 519.61 CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL600213 OBDepict O N H N H N N N N N O O O IC50 = 0.22 nM 545.64 O=C(Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1)NC1CC1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL603498 OBDepict CH 3 HN HN O N N N N N O O IC50 = 0.22 nM 475.55 CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC(=O)CC4)c3n2)cc1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL574012 OBDepict CH 3 N H HN O N N N N N O N O O H 3 C IC50 = 0.22 nM 520.59 CNC(=O)Nc1ccc(-c2nc(N3C4CCC3COC4)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1 Homo sapiens CHEMBL1047613 single protein format
CHEMBL601023 OBDepict F NH NH O N N N N N O O O IC50 = 0.22 nM 551.62 O=C(NCCF)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL568259 OBDepict CH 3 HN HN O N N N N N O N O O H 3 C IC50 = 0.22 nM 520.59 CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1 Homo sapiens CHEMBL1047613 single protein format
CHEMBL574680 OBDepict O N H N H N N N N N N O F F F IC50 = 0.23 nM 498.47 O=C(Nc1ccc(-c2nc(N3CCOCC3)c3cnn(CC(F)(F)F)c3n2)cc1)Nc1cccnc1 Homo sapiens CHEMBL1047613 single protein format
CHEMBL574905 OBDepict F N H N H O N N N N N O F F F IC50 = 0.23 nM 493.47 O=C(NCCF)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(CC(F)(F)F)c3n2)cc1 Homo sapiens CHEMBL1047613 single protein format
CHEMBL610630 OBDepict CH 3 HN HN O N N N N N H O H OH IC50 = 0.24 nM 477.57 CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn([C@H]4CC[C@H](O)CC4)c3n2)cc1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL3681175 OBDepict O N HO H 3 C H N O N CH 3 N N N N N H Ki = 0.241 nM 472.51 C[C@@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6[nH]ncc6c5)nc4c32)CC1 Homo sapiens CHEMBL3705453 single protein format
CHEMBL2331668 OBDepict CH 3 N O N O N CH 3 N N N N N H Ki = 0.243 nM 442.48 CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6[nH]ncc6c5)nc4c32)CC1 Homo sapiens CHEMBL2343997 single protein format
CHEMBL1765602 OBDepict NH 2 N N N O F F F IC50 = 0.25 nM 432.41 Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1 Homo sapiens CHEMBL4235179 single protein format
CHEMBL3645913 OBDepict CH 3 N N N F Cl H 2 N N O OH H 3 C IC50 = 0.25 nM 508.0 CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(C(C)O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Homo sapiens CHEMBL3706089 single protein format
CHEMBL3645911 OBDepict H 3 C N N N F Cl NH 2 N O N O CH 3 IC50 = 0.26 nM 492.94 CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)C(=O)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Homo sapiens CHEMBL3706089 single protein format
CHEMBL3688907 OBDepict HO N N N N N H CH 3 O H CH 3 O H CH 3 IC50 = 0.26 nM 435.53 C[C@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccc(O)cc4)nc3n2)C[C@@H](C)O1 Homo sapiens CHEMBL3705655 single protein format
CHEMBL600084 OBDepict H 3 C NH NH O N N N N N O N O O CH 3 H 3 C CH 3 IC50 = 0.26 nM 562.68 CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3n2)cc1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL600825 OBDepict CH 3 NH NH O N N N N N O O O IC50 = 0.26 nM 533.63 CCNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL1092398 OBDepict OH O NH N H O N N N N N O O IC50 = 0.26 nM 573.65 O=C(Nc1ccc(OCCO)cc1)Nc1ccc(-c2nc(N3C4CCC3COC4)nc(N3C4CCC3COC4)n2)cc1 Homo sapiens CHEMBL1108787 single protein format
CHEMBL3643265 OBDepict CH 3 N N N Cl NH 2 N O O IC50 = 0.27 nM 433.9 CCc1ncnc(-c2ccc(C(=O)N3CCCO3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Homo sapiens CHEMBL3706089 single protein format
CHEMBL3645967 OBDepict CH 3 N N N F F NH 2 N O N HO IC50 = 0.28 nM 532.6 CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C4CCCC4O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 Homo sapiens CHEMBL3706089 single protein format
CHEMBL573663 OBDepict H 3 C O N O N N N N N H CH 3 O N H HN O N IC50 = 0.28 nM 585.67 CCOC(=O)N1CCC(n2ncc3c(N4CCOC[C@H]4C)nc(-c4ccc(NC(=O)Nc5ccncc5)cc4)nc32)CC1 Homo sapiens CHEMBL1047613 single protein format
CHEMBL3577914 OBDepict CH 3 O N HN S O O F F N N NH 2 N IC50 = 0.29 nM 520.52 COc1ncc(-c2ccc3nc(N)nc(-c4ccncc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL3579762 single protein format
CHEMBL595256 OBDepict O HN N H N N N N S O IC50 = 0.29 nM 458.55 O=C(Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3sccc3n2)cc1)Nc1cccnc1 Homo sapiens CHEMBL1067293 single protein format
CHEMBL3645912 OBDepict H 3 C N N N F Cl NH 2 N O N HO CH 3 CH 3 IC50 = 0.29 nM 537.04 CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC(C)(C)O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Homo sapiens CHEMBL3706089 single protein format
CHEMBL3681165 OBDepict H 3 C N O N O N H 3 C N N N NH 2 Ki = 0.299 nM 417.47 CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N)nc5)nc4c32)CC1 Homo sapiens CHEMBL3705453 single protein format
CHEMBL577967 OBDepict CH 3 N N N N N O N H NH O NH O N CH 3 H 3 C IC50 = 0.3 nM 555.64 CCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)NN(C)C)cc4)cc3)nc21 Homo sapiens CHEMBL1039195 cell-based format
CHEMBL576304 OBDepict CH 3 N N N N N O N H NH O N N O IC50 = 0.3 nM 555.64 CCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)Nc4ccc(N5CCOCC5)nc4)cc3)nc21 Homo sapiens CHEMBL1039195 cell-based format
CHEMBL606621 OBDepict CH 3 HN HN O N N N N N H O H OH IC50 = 0.3 nM 477.57 CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn([C@H]4CC[C@@H](O)CC4)c3n2)cc1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL1808986 OBDepict CH 3 N CH 3 N H 3 C O NH N H O N N O N N CH 3 CH 3 O IC50 = 0.3 nM 562.68 CC(C)Oc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)N(C)CCN(C)C)cc3)cc2)nc(N2CCOCC2)n1 Homo sapiens CHEMBL1810297 single protein format
CHEMBL1236962 OBDepict CH 3 O N HN S O O F F N N N IC50 = 0.3 nM 505.51 COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL3766570 single protein format
CHEMBL1094981 OBDepict F N H HN O N N N N N O N O O H 3 C CH 3 IC50 = 0.3 nM 554.63 CC(C)OC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)NCCF)cc4)nc32)CC1 Homo sapiens CHEMBL1104613 cell-based format
CHEMBL557963 OBDepict H 3 C O N O N N N N N O N H HN O N IC50 = 0.3 nM 557.62 COC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5ccncc5)cc4)nc32)CC1 Homo sapiens CHEMBL1058638 cell-based format
CHEMBL565787 OBDepict CH 3 N N N N N O N H NH O IC50 = 0.3 nM 469.55 CCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)nc21 Homo sapiens CHEMBL1039195 cell-based format
CHEMBL576505 OBDepict CH 3 N N N N N O N H NH O N N H 3 C IC50 = 0.3 nM 567.7 CCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)Nc4ccc(N5CCN(C)CC5)cc4)cc3)nc21 Homo sapiens CHEMBL1039195 cell-based format
CHEMBL4850101 OBDepict CH 3 O N NH S O O N O N H N IC50 = 0.3 nM 523.57 COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2cc13 Homo sapiens CHEMBL4820258 assay format
CHEMBL1097896 OBDepict HO N H NH O N N N N N O N IC50 = 0.3 nM 556.67 O=C(NCCO)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1 Homo sapiens CHEMBL1104613 cell-based format
CHEMBL1098244 OBDepict H 3 C O N O N N N N N O N H HN O IC50 = 0.3 nM 556.63 COC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5ccccc5)cc4)nc32)CC1 Homo sapiens CHEMBL1104613 cell-based format
CHEMBL591760 OBDepict O N H HN O NH 2 N N N N N N H 3 C CH 3 O IC50 = 0.31 nM 501.55 CC(C)n1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(N)=O)cc4)cc3)nc21 Homo sapiens CHEMBL1068073 single protein format
CHEMBL1258296 OBDepict OH HN N H O N N N N N O O IC50 = 0.32 nM 531.62 O=C(Nc1ccc(CCO)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cc1 Homo sapiens CHEMBL1259905 single protein format
CHEMBL558486 OBDepict CH 3 N H HN O N N N N N O N O O H 3 C IC50 = 0.32 nM 508.58 CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1 Homo sapiens CHEMBL1058638 cell-based format
CHEMBL600258 OBDepict OH N H N H O N N N N N N H 3 C CH 3 O IC50 = 0.32 nM 488.55 CC(C)n1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(CO)cc4)cc3)nc21 Homo sapiens CHEMBL1068073 single protein format
CHEMBL3645974 OBDepict CH 3 N N N F Cl NH 2 N O N HO IC50 = 0.32 nM 549.05 CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C4CCCC4O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Homo sapiens CHEMBL3706089 single protein format
CHEMBL3681176 OBDepict CH 3 O N O N O N CH 3 N N N N N H Ki = 0.323 nM 472.51 COCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6[nH]ncc6c5)nc4c32)CC1 Homo sapiens CHEMBL3705453 single protein format
CHEMBL601445 OBDepict CH 3 O H H N N N N N O HN HN O CH 3 IC50 = 0.33 nM 491.6 CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn([C@H]4CC[C@@H](OC)CC4)c3n2)cc1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL3681154 OBDepict NH 2 N N N N N N H 3 C O H H OH Ki = 0.33 nM 391.44 Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21 Homo sapiens CHEMBL3705453 single protein format
CHEMBL593157 OBDepict OH N H N H O N N N S O IC50 = 0.34 nM 425.51 O=C(NCCO)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3sccc3n2)cc1 Homo sapiens CHEMBL1067293 single protein format
CHEMBL1774364 OBDepict H 3 C HN NH O N N N CH 3 O O OH Ki = 0.34 nM 427.51 CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)[C@](C)(CCO)OC3)cc1 Homo sapiens CHEMBL1777159 cell-based format
CHEMBL3643219 OBDepict CH 3 N N N F F H 2 N N O N O IC50 = 0.35 nM 532.6 CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C4CCOCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 Homo sapiens CHEMBL3706089 single protein format
CHEMBL591761 OBDepict O N H NH N N N O N N N N CH 3 H 3 C O IC50 = 0.35 nM 543.63 CC(C)n1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(N5CCOCC5)cc4)cc3)nc21 Homo sapiens CHEMBL1068073 single protein format
CHEMBL3681182 OBDepict CH 3 N O N N H N H HO N N H Ki = 0.359 nM 414.47 Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4ccc5[nH]ncc5c4)ccc3ncc21 Homo sapiens CHEMBL3705453 single protein format
CHEMBL3643272 OBDepict CH 3 N N N Cl H 2 N N O N S O O H 3 C IC50 = 0.36 nM 539.06 CCc1ncnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Homo sapiens CHEMBL3706089 single protein format
CHEMBL2331666 OBDepict CH 3 O N O N O N CH 3 N N N H 3 C Ki = 0.377 nM 446.51 COCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(C)nc5)nc4c32)CC1 Homo sapiens CHEMBL2343997 single protein format
CHEMBL602276 OBDepict CH 3 O H H N N N N N O HN HN O CH 3 IC50 = 0.38 nM 491.6 CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn([C@H]4CC[C@H](OC)CC4)c3n2)cc1 Homo sapiens CHEMBL1068272 single protein format
CHEMBL551440 OBDepict H 3 C N H NH O N N N N N O N N IC50 = 0.38 nM 527.63 CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5cccnc5)CC4)c3n2)cc1 Homo sapiens CHEMBL1058638 cell-based format
CHEMBL1090381 OBDepict OH O O N CH 3 N N O IC50 = 0.38 nM 403.44 Cn1cc(/C=C2Oc3cccc(O)c3C2=O)c2c(N3CC4CCC(C3)O4)ccnc21 Homo sapiens CHEMBL1107897 single protein format
CHEMBL591759 OBDepict H 3 C N N N N N N O N H HN O O NH 2 IC50 = 0.39 nM 487.52 CCn1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(N)=O)cc4)cc3)nc21 Homo sapiens CHEMBL1068073 single protein format
CHEMBL3645978 OBDepict CH 3 N N N Cl NH 2 N O N O N H 3 C IC50 = 0.39 nM 542.04 CCc1ncnc(-c2ccc(C(=O)N3CCN(Cc4cc(C)no4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Homo sapiens CHEMBL3706089 single protein format
CHEMBL1092781 OBDepict OH N N O N N CH 3 O O OH IC50 = 0.39 nM 524.58 Cn1cc(/C=C2Oc3cccc(O)c3C2=O)c2c(-c3ccc(C(=O)N4CCN(CCO)CC4)cc3)ccnc21 Homo sapiens CHEMBL1107897 single protein format
CHEMBL3688937 OBDepict H 3 C S NH O O N N N N N H H 3 C H H 3 C O O IC50 = 0.39 nM 512.64 C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(CNS(C)(=O)=O)cc3)nc2n1 Homo sapiens CHEMBL3705655 single protein format
CHEMBL2331687 OBDepict H N O N N H N N N N H CH 3 N N O Ki = 0.4 nM 497.56 C[C@H]1COCCN1c1nc(-c2ccc(Nc3nccc(=O)[nH]3)cc2)nc2c1CCN(c1ncccn1)C2 Homo sapiens CHEMBL2344477 single protein format
CHEMBL1822054 OBDepict CH 3 HN O N N N N N H Cl S O O F IC50 = 0.4 nM 460.88 CC(=O)Nc1cn2nc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)ccc2n1 Homo sapiens CHEMBL1828260 single protein format
CHEMBL1095627 OBDepict NH 2 N N N N N O N O O CH 3 H 3 C CH 3 IC50 = 0.4 nM 479.59 CC(C)(C)OC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(N)cc4)nc32)CC1 Homo sapiens CHEMBL1104613 cell-based format
CHEMBL3643222 OBDepict CH 3 N N N F F H 2 N N O N O IC50 = 0.4 nM 532.6 CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(N4CCOCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 Homo sapiens CHEMBL3706089 single protein format
CHEMBL4879288 OBDepict HO N H O S N O N N N N H 2 N N O H 2 N IC50 = 0.4 nM 533.57 Nc1nc2cc(-c3nn(CC4CCN(C(=O)c5ccc(C(=O)NO)s5)CC4)c4ncnc(N)c34)ccc2o1 Homo sapiens CHEMBL4810527 single protein format
CHEMBL1808987 OBDepict CH 3 N CH 3 HN O NH N H O N N O N N CH 3 CH 3 O IC50 = 0.4 nM 548.65 CC(C)Oc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)NCCN(C)C)cc3)cc2)nc(N2CCOCC2)n1 Homo sapiens CHEMBL1810297 single protein format
CHEMBL1091360 OBDepict O N H N H N N N NH N N N H CH 3 O O IC50 = 0.4 nM 585.71 C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc(N4CCNCC4)cc3)cc2)nc(N2C3CCC2COC3)n1 Homo sapiens CHEMBL1108787 single protein format
CHEMBL3681160 OBDepict CH 3 N O N N H N H OH N H Ki = 0.404 nM 413.48 Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cccc5[nH]ccc45)ccc3ncc21 Homo sapiens CHEMBL3705453 single protein format
CHEMBL1914727 OBDepict F S HN O O Cl N N N IC50 = 0.41 nM 490.95 O=S(=O)(Nc1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cnc1Cl)c1ccc(F)cc1 Homo sapiens CHEMBL1919685 single protein format
CHEMBL1258517 OBDepict O N H N H N N N N N N O O IC50 = 0.42 nM 488.55 O=C(Nc1ccncc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cc1 Homo sapiens CHEMBL1259905 single protein format
CHEMBL1258183 OBDepict OH N H N H O N N N N N O O IC50 = 0.43 nM 517.59 O=C(Nc1ccc(CO)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cc1 Homo sapiens CHEMBL1259905 single protein format
CHEMBL592917 OBDepict O NH N H N N N N S O IC50 = 0.44 nM 458.55 O=C(Nc1ccncc1)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3sccc3n2)cc1 Homo sapiens CHEMBL1067293 single protein format