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P07900 | HS90A_HUMAN | Heat shock protein HSP 90-alpha (HSP90AA1)

3D structures mapped by conservation among orthologs

[ Domain: "Ribosomal protein S5 domain 2-like" // HSP90_1st ]

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[ Domain: "ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase" // HATPase_c ]

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[ Domain: "HSP90 C-terminal domain (C-terminal part of Pfam 00183)" // HSP90_3rd ]

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[ Domain: "HSP90 C-terminal a/b domain" // HSP90_2nd ]

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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
CHEMBL1230584 OBDepict CH 3 O CH 3 CH 3 N N N H 2 N N Cl HO H 3 C CH 3 Ki = 0.2 nM 413.91 COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C Homo sapiens CHEMBL2212644 single protein format
CHEMBL2205798 OBDepict OH N Cl N N N NH 2 H 3 C O H 3 C H 3 C IC50 = 0.7 nM 371.83 COc1c(C)cnc(Cn2cc(C#CCO)c3c(Cl)nc(N)nc32)c1C Homo sapiens CHEMBL2212191 single protein format
CHEMBL4873718 OBDepict Br N N N N O H 3 C CH 3 H 3 C H IC50 = 0.71 nM 403.32 CC1(C)[C@H]2CC[C@]1(C)N(Cc1cn(-c3cccc(Br)c3)nn1)C(=O)C2 Homo sapiens CHEMBL4814534 assay format
CHEMBL2205245 OBDepict CH 3 O CH 3 CH 3 N N N HC NH 2 N Cl IC50 = 1.0 nM 341.8 C#Cc1cn(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c12 Homo sapiens CHEMBL2212191 single protein format
CHEMBL1230584 OBDepict CH 3 O CH 3 CH 3 N N N H 2 N N Cl HO H 3 C CH 3 IC50 = 1.1 nM 413.91 COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C Homo sapiens CHEMBL2212191 single protein format
CHEMBL467399 OBDepict CH 3 O CH 3 CH 3 N N N N H 2 N N Cl Ki = 1.7 nM 318.77 COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C Homo sapiens CHEMBL1100282 single protein format
CHEMBL2205799 OBDepict OH N Cl N N N NH 2 H 3 C O H 3 C H 3 C IC50 = 2.0 nM 385.86 COc1c(C)cnc(Cn2cc(C#CCCO)c3c(Cl)nc(N)nc32)c1C Homo sapiens CHEMBL2212191 single protein format
CHEMBL4854592 OBDepict O N H H 3 C CH 3 CH 3 N N N F IC50 = 2.68 nM 342.42 CC1(C)[C@H]2CC[C@]1(C)N(Cc1cn(-c3ccccc3F)nn1)C(=O)C2 Homo sapiens CHEMBL4814534 assay format
CHEMBL3104858 OBDepict NH 2 O HN F N H O CH 3 H 3 C CH 3 O Ki = 3.0 nM 399.47 Cc1cn(-c2cc(F)c(C(N)=O)c(N[C@H]3CCOC3)c2)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3106553 cell-based format
CHEMBL3235355 OBDepict O HN N O CH 3 H 3 C CH 3 O Ki = 3.0 nM 406.53 Cc1cn(-c2cc3c(c(C4CCOCC4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3242256 single protein format
CHEMBL3675264 OBDepict OH HN N H N H 3 C N H 2 N N F O CH 3 IC50 = 3.0 nM 394.41 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NO)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL560895 OBDepict NH 2 O N H N H N H HO F F F H 3 C H 3 C O IC50 = 3.0 nM 464.49 CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](O)CC4)c3)c2C1 Homo sapiens CHEMBL2212191 single protein format
CHEMBL4849823 OBDepict O N H H 3 C CH 3 CH 3 N N N Cl IC50 = 3.28 nM 358.87 CC1(C)[C@H]2CC[C@]1(C)N(Cc1cn(-c3ccccc3Cl)nn1)C(=O)C2 Homo sapiens CHEMBL4814534 assay format
CHEMBL2205800 OBDepict OH N Cl N N N NH 2 H 3 C O H 3 C H 3 C IC50 = 3.9 nM 375.86 COc1c(C)cnc(Cn2cc(CCCO)c3c(Cl)nc(N)nc32)c1C Homo sapiens CHEMBL2212191 single protein format
CHEMBL3675270 OBDepict H 3 C O N F H N N H N O CH 3 N H 2 N N O H F IC50 = 4.0 nM 523.54 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOCC(=O)N3CC[C@@H](F)C3)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL3675267 OBDepict OH O N H N H N H 3 C N H 2 N N F O CH 3 IC50 = 4.0 nM 452.49 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOCCCO)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL3675257 OBDepict OH NH 2 H O N H N H N H 3 C N H 2 N N F O CH 3 IC50 = 4.0 nM 467.51 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOC[C@H](N)CO)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL560895 OBDepict NH 2 O N H N H N H HO F F F H 3 C H 3 C O Ki = 4.0 nM 464.49 CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](O)CC4)c3)c2C1 Homo sapiens CHEMBL3106553 cell-based format
CHEMBL1407606 OBDepict CH 3 O O CH 3 O O O CH 3 IC50 = 4.05 nM 330.38 COC(=O)c1ccccc1OCCCOc1ccc(C)cc1OC Homo sapiens CHEMBL1614478 single protein format
CHEMBL109480 OBDepict CH 2 N H O O HN H CH 3 O H O H 3 C CH 3 H OH H CH 3 CH 3 H O H O H 3 C O NH 2 Ki = 4.6 nM 585.7 C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(C)[C@H](OC(N)=O)[C@@H](OC)/C=CC=C(/C)C(=O)NC(=CC1=O)C2=O Homo sapiens CHEMBL1100282 single protein format
CHEMBL3234779 OBDepict H 3 C HN O N N N OH N H H 3 C H 3 C HO IC50 < 5.0 nM 491.64 CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CNCC2CCCCC2)cc1 Homo sapiens CHEMBL3240454 single protein format
CHEMBL3675262 OBDepict CH 3 O N F H N N H N O CH 3 N H 2 N H OH H OH IC50 = 5.0 nM 494.53 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOC3C[C@H](O)[C@H](O)C3)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL3235353 OBDepict O HN N CH 3 H 3 C CH 3 O IC50 = 5.0 nM 390.53 Cc1cn(-c2cc3c(c(C4CCCC4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL4713207 single protein format
CHEMBL2103879 OBDepict OH HO N N N H 3 C H 3 C H O N H 3 C IC50 = 5.0 nM 364.41 CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O Homo sapiens CHEMBL2424068 single protein format
CHEMBL267792 OBDepict CH 3 O OH HN H CH 3 O H O H 3 C CH 3 H OH H CH 3 CH 3 H O H O H 3 C O NH 2 IC50 = 5.0 nM 548.68 COc1c(O)cc2cc1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(C)[C@H](OC(N)=O)[C@@H](OC)CC/C=C(C)C(=O)N2 Homo sapiens CHEMBL4620535 single protein format
CHEMBL3234775 OBDepict H 3 C HN O N N N OH N H 3 C H 3 C HO N H 3 C IC50 < 5.0 nM 478.6 CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCN(C)CC2)cc1 Homo sapiens CHEMBL3240454 single protein format
CHEMBL3234774 OBDepict H 3 C HN O N N N OH N H 3 C H 3 C HO HN IC50 < 5.0 nM 464.57 CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCNCC2)cc1 Homo sapiens CHEMBL3240454 single protein format
CHEMBL3234764 OBDepict H 3 C HN O N N N OH N H 3 C H 3 C HO O IC50 < 5.0 nM 465.55 CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1 Homo sapiens CHEMBL3240454 single protein format
CHEMBL3234776 OBDepict H 3 C HN O N N N OH N H 3 C H 3 C HO N H 3 C CH 3 IC50 < 5.0 nM 506.65 CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCC(N(C)C)CC2)cc1 Homo sapiens CHEMBL3240454 single protein format
CHEMBL4544701 OBDepict OH N OH Cl O N H N H S O O N IC50 = 5.0 nM 446.87 O=c1[nH]c2cc(CNS(=O)(=O)c3cccnc3)ccc2n1-c1cc(Cl)c(O)cc1O Homo sapiens CHEMBL4479576 single protein format
CHEMBL3234773 OBDepict OH N CH 3 N N N HN O OH CH 3 CH 3 H 3 C OH IC50 < 5.0 nM 467.57 CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN(CC)CCO)cc1 Homo sapiens CHEMBL3240454 single protein format
CHEMBL3234769 OBDepict CH 3 NH O N N N HO N CH 3 CH 3 OH IC50 < 5.0 nM 449.56 CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCCC2)cc1 Homo sapiens CHEMBL3240454 single protein format
CHEMBL3235353 OBDepict O HN N CH 3 H 3 C CH 3 O Ki = 5.0 nM 390.53 Cc1cn(-c2cc3c(c(C4CCCC4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3242256 single protein format
CHEMBL467399 OBDepict CH 3 O CH 3 CH 3 N N N N H 2 N N Cl IC50 = 5.1 nM 318.77 COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C Homo sapiens CHEMBL2212191 single protein format
CHEMBL4289811 OBDepict CH 3 NH O N CH 3 O OH H 3 C CH 3 HO IC50 = 5.3 nM 384.48 CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Homo sapiens CHEMBL4252940 single protein format
CHEMBL3675268 OBDepict HO O NH N H N CH 3 N NH 2 N F O H 3 C IC50 = 6.0 nM 466.52 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOCCCCO)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL2205244 OBDepict H 3 C O H 3 C H 3 C N N N NH 2 N Cl IC50 = 6.0 nM 393.88 COc1c(C)cnc(Cn2cc(-c3ccccc3)c3c(Cl)nc(N)nc32)c1C Homo sapiens CHEMBL2212191 single protein format
CHEMBL3675259 OBDepict HO H 3 C H O NH N H N CH 3 N NH 2 N F O CH 3 IC50 = 6.0 nM 480.54 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOCC[C@H](C)CO)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL3235354 OBDepict O HN N CH 3 H 3 C CH 3 O Ki = 6.0 nM 404.55 Cc1cn(-c2cc3c(c(C4CCCCC4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3242256 single protein format
CHEMBL1774924 OBDepict H 2 N N N N Cl O HN O Cl N N Ki = 6.0 nM 500.39 Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CN(C(=O)NC13CC(C1)C3)C2 Homo sapiens CHEMBL1777305 single protein format
CHEMBL4279132 OBDepict H 3 C NH O N CH 3 O OH H 3 C CH 3 HO IC50 = 6.5 nM 370.45 CCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Homo sapiens CHEMBL4252940 single protein format
CHEMBL3234778 OBDepict H 3 C HN O N N N OH N H H 3 C H 3 C HO IC50 = 6.8 nM 477.61 CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CNC2CCCCC2)cc1 Homo sapiens CHEMBL3240454 single protein format
CHEMBL1774910 OBDepict NH 2 N N N Cl O N H O Cl Ki = 7.0 nM 498.41 Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCc3ccccc3)n1)CN(C(=O)NC1CCC1)C2 Homo sapiens CHEMBL1777305 single protein format
CHEMBL1774918 OBDepict NH 2 N N N Cl O N H O Cl N N Ki = 7.0 nM 488.38 Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CN(C(=O)NC1CCC1)C2 Homo sapiens CHEMBL1777305 single protein format
CHEMBL1774926 OBDepict NH 2 N N N Cl O N H O Cl N F F F N Ki = 7.0 nM 516.31 Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CN(C(=O)NCC(F)(F)F)C2 Homo sapiens CHEMBL1777305 single protein format
CHEMBL1738803 OBDepict H 2 N N N N Cl O HN O Cl F F F Ki = 7.0 nM 504.34 Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCCC(F)(F)F)n1)CN(C(=O)NC1CCC1)C2 Homo sapiens CHEMBL1777305 single protein format
CHEMBL4857130 OBDepict Cl N N N N O H 3 C CH 3 H 3 C H IC50 = 7.38 nM 358.87 CC1(C)[C@H]2CC[C@]1(C)N(Cc1cn(-c3cccc(Cl)c3)nn1)C(=O)C2 Homo sapiens CHEMBL4814534 assay format
CHEMBL252164 OBDepict H 3 C HN O N O OH N H 3 C H 3 C HO O IC50 = 7.8 nM 465.55 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1 Homo sapiens CHEMBL1100282 single protein format
CHEMBL4853099 OBDepict N N N N N O H 3 C CH 3 H 3 C H IC50 = 7.99 nM 349.44 CC1(C)[C@H]2CC[C@]1(C)N(Cc1cn(-c3ccccc3C#N)nn1)C(=O)C2 Homo sapiens CHEMBL4814534 assay format
CHEMBL3675263 OBDepict H 3 C O N F H N HN N O H 3 C N NH 2 H HO H OH IC50 = 8.0 nM 508.55 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOCC3C[C@H](O)[C@H](O)C3)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL3675269 OBDepict CH 3 O N F H N HN N O H 3 C N NH 2 N O CH 3 CH 3 IC50 = 8.0 nM 479.52 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOCC(=O)N(C)C)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL3675273 OBDepict OH N CH 3 O O N H N H N H 3 C N H 2 N N F O CH 3 IC50 = 8.0 nM 509.54 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOCC(=O)N(C)CCO)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL3675271 OBDepict OH O H N O HN CH 3 H 3 C N H N H 3 C N H 2 N N F O CH 3 IC50 = 8.0 nM 523.57 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NO[C@@H](CCO)C(=O)N(C)C)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL4557781 OBDepict CH 3 O HO N H H CH 3 O H O H 3 C H 3 C H OH H CH 3 H 3 C H O H 3 C H O O H 2 N IC50 = 8.381 nM 562.7 COc1c(O)cc2cc1C[C@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(C)C[C@H](OC(N)=O)[C@@H](OC)CC/C=C(C)C(=O)N2 Homo sapiens CHEMBL4427847 assay format
CHEMBL1774925 OBDepict F F N H N O N N NH 2 Cl O Cl N N Ki = 9.0 nM 498.32 Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CN(C(=O)NCC(F)F)C2 Homo sapiens CHEMBL1777305 single protein format
CHEMBL252164 OBDepict H 3 C HN O N O OH N H 3 C H 3 C HO O Ki = 9.0 nM 465.55 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1 Homo sapiens CHEMBL1100282 single protein format
CHEMBL1774923 OBDepict NH 2 N N N Cl O N H O Cl N N F F Ki = 9.0 nM 524.36 Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CN(C(=O)NC1CC(F)(F)C1)C2 Homo sapiens CHEMBL1777305 single protein format
CHEMBL3235361 OBDepict F N O HN CH 3 H 3 C CH 3 O Ki = 10.0 nM 416.5 Cc1cn(-c2cc3c(c(-c4ccc(F)cc4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3242256 single protein format
CHEMBL3675260 OBDepict CH 3 O N F H N N H N O H 3 C N NH 2 H O O IC50 = 10.0 nM 494.53 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOC[C@H]3COCCO3)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL3962788 OBDepict CH 3 O N F H N N H N O H 3 C N NH 2 HO IC50 = 10.0 nM 506.58 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOCC3CCC(O)CC3)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL3360312 OBDepict CH 3 O N N F H N H O N H 3 C N NH 2 IC50 = 10.0 nM 380.38 COc1cncc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1 Homo sapiens CHEMBL3387537 single protein format
CHEMBL3675261 OBDepict CH 3 O N F H N N H N O H 3 C N NH 2 O H OH H O H HO H 3 C IC50 = 10.0 nM 540.55 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOCC3O[C@@H](OC)[C@H](O)[C@@H]3O)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL3675266 OBDepict HO HO H O N H N H N CH 3 N NH 2 N F O H 3 C IC50 = 10.0 nM 496.54 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOCCC[C@H](O)CO)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL3234771 OBDepict OH N N N N N H O OH H 3 C H 3 C H 3 C HO IC50 = 10.0 nM 507.64 CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCCCC2CCO)cc1 Homo sapiens CHEMBL3240454 single protein format
CHEMBL1738805 OBDepict H 2 N N N N Cl O N H O Cl N F F CH 3 N Ki = 11.0 nM 512.35 CC(F)(F)CNC(=O)N1Cc2nc(N)nc(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)c2C1 Homo sapiens CHEMBL1777305 single protein format
CHEMBL4293186 OBDepict CH 3 N H O N CH 3 O OH H 3 C CH 3 HO IC50 = 11.4 nM 356.42 CNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Homo sapiens CHEMBL4252940 single protein format
CHEMBL1774922 OBDepict NH 2 N N N Cl O N H O Cl N N Ki = 12.0 nM 474.35 Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CN(C(=O)NC1CC1)C2 Homo sapiens CHEMBL1777305 single protein format
CHEMBL3360306 OBDepict CH 3 O N CH 3 H N H O N H 3 C N NH 2 IC50 = 12.0 nM 375.43 COc1cccc(-c2cc(C)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1 Homo sapiens CHEMBL3387537 single protein format
CHEMBL3235110 OBDepict H 3 C N H O N N N OH NH CH 3 H 3 C OH N CH 3 CH 3 IC50 = 12.0 nM 508.67 CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CNCCCN(CC)CC)cc1 Homo sapiens CHEMBL3240454 single protein format
CHEMBL1774921 OBDepict H 3 C N H N O N N H 2 N Cl O Cl N N Ki = 13.0 nM 462.34 CCNC(=O)N1Cc2nc(N)nc(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)c2C1 Homo sapiens CHEMBL1777305 single protein format
CHEMBL3675272 OBDepict CH 3 O N F H N NH N O H 3 C N H 2 N N O H 3 C HO H HO IC50 = 13.0 nM 539.57 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOCC(=O)N(C)C[C@H](O)CO)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL3675258 OBDepict OH O OH N H N H N H 3 C N NH 2 N F O CH 3 IC50 = 13.0 nM 482.52 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOCC(CO)CO)=N2)n1 Homo sapiens CHEMBL3705911 single protein format
CHEMBL3360305 OBDepict CH 3 O N F H N H O N H 3 C N NH 2 IC50 = 13.0 nM 379.4 COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1 Homo sapiens CHEMBL3387537 single protein format
CHEMBL3234777 OBDepict CH 3 NH O N N N HO N CH 3 CH 3 OH H N CH 3 CH 3 IC50 = 13.0 nM 492.62 CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CC[C@H](N(C)C)C2)cc1 Homo sapiens CHEMBL3240454 single protein format
CHEMBL1214827 OBDepict H 3 C N N N O HO CH 3 CH 3 OH IC50 = 13.6 nM 409.53 CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O Homo sapiens CHEMBL4153980 single protein format
CHEMBL3235360 OBDepict O HN N CH 3 H 3 C CH 3 O Ki = 14.0 nM 398.51 Cc1cn(-c2cc3c(c(-c4ccccc4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3242256 single protein format
CHEMBL3235335 OBDepict CH 3 N N O N H H 3 C H 3 C O H 2 N Ki = 14.0 nM 434.58 CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NC5CCCC5)c4)c2C1)CC(C)(C)CC3=O Homo sapiens CHEMBL3242256 single protein format
CHEMBL3235108 OBDepict H 3 C HN O N N N OH N H H 3 C H 3 C HO N O IC50 = 14.8 nM 508.62 CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CNCCN2CCOCC2)cc1 Homo sapiens CHEMBL3240454 single protein format
CHEMBL3235109 OBDepict CH 3 N H O N N N OH HN H 3 C CH 3 HO N CH 3 CH 3 IC50 = 15.0 nM 494.64 CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CNCCN(CC)CC)cc1 Homo sapiens CHEMBL3240454 single protein format
CHEMBL1774916 OBDepict H 2 N N N N Cl O N H O Cl N F F Ki = 16.0 nM 513.38 Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCN3CC(F)(F)C3)n1)CN(C(=O)NC1CCC1)C2 Homo sapiens CHEMBL1777305 single protein format
CHEMBL3360307 OBDepict CH 3 O N H N H O O N H 3 C CH 3 N NH 2 IC50 = 16.0 nM 391.43 COc1ccc([C@H]2Cc3nc(N)nc(C)c3C(=O)N2)c(-c2cccc(OC)n2)c1 Homo sapiens CHEMBL3387537 single protein format
CHEMBL4779990 OBDepict CH 3 O O N N N CH 3 H 3 C N O OH H 3 C CH 3 HO IC50 = 16.0 nM 430.51 COCCOc1nc2c(c(N(C)C)n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2 Homo sapiens CHEMBL4706998 single protein format
CHEMBL3360313 OBDepict H 3 C O N H 3 C N F H N H O N CH 3 N NH 2 IC50 = 16.0 nM 394.41 COc1nc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)cnc1C Homo sapiens CHEMBL3387537 single protein format
CHEMBL486827 OBDepict CH 3 O H H OH H CH 3 H CH 3 H O CH 3 CH 3 O H O O N H H O O H 2 N H 3 C O H 3 C IC50 = 16.82 nM 560.64 CO[C@H]1/C=CC=C(/C)C(=O)NC2=CC(=O)C=C(C2=O)[C@H](OC)[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(C)[C@@H]1OC(N)=O Homo sapiens CHEMBL4427847 assay format
CHEMBL3235336 OBDepict CH 3 N N O HN H 3 C CH 3 O NH 2 Ki = 17.0 nM 420.56 CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC5CC5)c4)c2C1)CC(C)(C)CC3=O Homo sapiens CHEMBL3242256 single protein format
CHEMBL3342721 OBDepict O HN O N OH N CH 3 H 3 C OH IC50 = 17.0 nM 475.59 CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCCCC3)cc2)c(O)cc1O Homo sapiens CHEMBL3373353 single protein format
CHEMBL4782374 OBDepict CH 3 O O N N NH H 3 C N O OH H 3 C CH 3 HO IC50 = 17.0 nM 416.48 CNc1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2 Homo sapiens CHEMBL4706998 single protein format
CHEMBL3235112 OBDepict Cl HN O N N N HO N H 3 C CH 3 HO O IC50 = 17.0 nM 500.0 CC(C)c1cc(-n2nnc(C(=O)NCCCl)c2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O Homo sapiens CHEMBL3240454 single protein format
CHEMBL1774908 OBDepict NH 2 N N N Cl O N H O Cl F F F Ki = 18.0 nM 490.31 Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCCC(F)(F)F)n1)CN(C(=O)NC1CC1)C2 Homo sapiens CHEMBL1777305 single protein format
CHEMBL3360304 OBDepict CH 3 O N H N H O N H 3 C N NH 2 IC50 = 19.0 nM 361.41 COc1cccc(-c2ccccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1 Homo sapiens CHEMBL3387537 single protein format
CHEMBL4753741 OBDepict CH 3 O O N N HN N O OH H 3 C CH 3 HO IC50 = 19.0 nM 442.52 COCCOc1nc2c(c(NC3CC3)n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2 Homo sapiens CHEMBL4706998 single protein format
CHEMBL4797602 OBDepict CH 3 O O N N N O OH H 3 C CH 3 HO IC50 = 19.0 nM 387.44 COCCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2 Homo sapiens CHEMBL4706998 single protein format
CHEMBL3235352 OBDepict H 3 C CH 3 N O HN CH 3 H 3 C CH 3 O Ki = 20.0 nM 378.52 Cc1cn(-c2cc3c(c(CC(C)C)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3242256 single protein format
CHEMBL1774920 OBDepict CH 3 N H N O N N H 2 N Cl O Cl N N Ki = 20.0 nM 448.31 CNC(=O)N1Cc2nc(N)nc(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)c2C1 Homo sapiens CHEMBL1777305 single protein format
CHEMBL3235362 OBDepict F N O HN CH 3 H 3 C CH 3 O Ki = 20.0 nM 416.5 Cc1cn(-c2cc3c(c(-c4cccc(F)c4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3242256 single protein format
CHEMBL109480 OBDepict CH 2 N H O O HN H CH 3 O H O H 3 C CH 3 H OH H CH 3 CH 3 H O H O H 3 C O NH 2 IC50 = 20.0 nM 585.7 C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(C)[C@H](OC(N)=O)[C@@H](OC)/C=CC=C(/C)C(=O)NC(=CC1=O)C2=O Homo sapiens CHEMBL1806078 single protein format
CHEMBL278315 OBDepict CH 3 O O O NH H H 3 C O H O CH 3 H 3 C H HO H H 3 C H 3 C H O H O H 3 C O NH 2 IC50 = 20.0 nM 560.64 COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(C)[C@H](OC(N)=O)[C@@H](OC)/C=CC=C(/C)C(=O)NC(=CC1=O)C2=O Homo sapiens CHEMBL944009 single protein format
CHEMBL1774907 OBDepict H 3 C N H H 3 C N O N N NH 2 Cl O Cl F F F Ki = 21.0 nM 492.33 CC(C)NC(=O)N1Cc2nc(N)nc(-c3c(Cl)cc(Cl)cc3OCCCC(F)(F)F)c2C1 Homo sapiens CHEMBL1777305 single protein format
CHEMBL3260492 OBDepict OH HO N O N H IC50 = 21.0 nM 346.39 O=C(c1cc(Nc2ccccc2)c(O)cc1O)N1Cc2ccccc2C1 Homo sapiens CHEMBL3266921 cell-based format
CHEMBL4126250 OBDepict H 3 C HN O N O HN O OH CH 3 H 3 C OH HN O NH H 2 N IC50 = 21.0 nM 494.51 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccc(C(=O)NC(=N)N)cc1 Homo sapiens CHEMBL4124129 assay format