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P08238 | HS90B_HUMAN | Heat shock protein HSP 90-beta (HSP90AB1)

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
CHEMBL252164 OBDepict H 3 C HN O N O OH N H 3 C H 3 C HO O Ki = 0.064 nM 465.55 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1 Homo sapiens CHEMBL1103015 single protein format
CHEMBL2158573 OBDepict N N H N N S Cl O H 3 C O NH O CH 3 H 3 C H 3 C CH 3 Ki < 1.0 nM 459.96 COc1cc(Cl)c(-c2nc(SCC(=O)NC(C)(C)C)nc3[nH]cc(C#N)c23)cc1OC Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158572 OBDepict N N H N N S Cl OH O NH O CH 3 H 3 C H 3 C CH 3 Ki < 1.0 nM 445.93 COc1cc(Cl)c(-c2nc(SCC(=O)NC(C)(C)C)nc3[nH]cc(C#N)c23)cc1O Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158571 OBDepict CH 3 HN O S N N N H Cl O N O H 3 C H 3 C Ki < 1.0 nM 445.93 CCNC(=O)CSc1nc(-c2cc(OCC)c(OC)cc2Cl)c2c(C#N)c[nH]c2n1 Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158568 OBDepict CH 3 O O CH 3 Cl N S N N N H N H O Ki < 1.0 nM 457.94 CCOc1cc(-c2nc(SCC(=O)NC3CC3)nc3[nH]cc(C#N)c23)c(Cl)cc1OC Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158567 OBDepict N N H N N S Cl OH O N H O CH 3 Ki < 1.0 nM 429.89 COc1cc(Cl)c(-c2nc(SCC(=O)NC3CC3)nc3[nH]cc(C#N)c23)cc1O Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158566 OBDepict N N H N N S Cl O H 3 C O N H O CH 3 Ki < 1.0 nM 443.92 COc1cc(Cl)c(-c2nc(SCC(=O)NC3CC3)nc3[nH]cc(C#N)c23)cc1OC Homo sapiens CHEMBL2162319 single protein format
CHEMBL3309997 OBDepict HO NH N N N N O O Ki = 1.0 nM 363.38 OCCCNc1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)n1ncnc21 Homo sapiens CHEMBL3381049 single protein format
CHEMBL2158564 OBDepict H 3 C N H 3 C S N N N H Cl O N CH 3 N Ki < 1.0 nM 440.96 CCN(CC)CCSc1nc(-c2cc(OC)c(C#N)cc2Cl)c2c(C#N)c[nH]c2n1 Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158629 OBDepict CH 3 N CH 3 S N N N H Cl O N H 3 C Cl Ki < 1.0 nM 450.4 CCN(CC)CCSc1nc(-c2cc(OC)c(Cl)cc2Cl)c2c(C#N)c[nH]c2n1 Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158562 OBDepict N N H N N S Cl O H 3 C O N O CH 3 CH 3 CH 3 Ki < 1.0 nM 431.91 COc1cc(Cl)c(-c2nc(SCC(=O)N(C)C)nc3[nH]cc(C#N)c23)cc1OC Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158561 OBDepict N N H N N S Cl OH O N O CH 3 CH 3 CH 3 Ki < 1.0 nM 417.88 COc1cc(Cl)c(-c2nc(SCC(=O)N(C)C)nc3[nH]cc(C#N)c23)cc1O Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158560 OBDepict CH 3 NH O S N N N H Cl O N CH 3 O CH 3 Ki < 1.0 nM 417.88 CNC(=O)CSc1nc(-c2cc(OC)c(OC)cc2Cl)c2c(C#N)c[nH]c2n1 Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158559 OBDepict N N H N N S Cl O CH 3 O N O CH 3 Ki < 1.0 nM 443.92 COc1cc(Cl)c(-c2nc(SCC(=O)N3CCC3)nc3[nH]cc(C#N)c23)cc1OC Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158579 OBDepict N N H N N S Cl OH O N O CH 3 Ki < 1.0 nM 429.89 COc1cc(Cl)c(-c2nc(SCC(=O)N3CCC3)nc3[nH]cc(C#N)c23)cc1O Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158578 OBDepict N N H N N S Cl O H 3 C O NH O CH 3 F F F Ki < 1.0 nM 485.88 COc1cc(Cl)c(-c2nc(SCC(=O)NCC(F)(F)F)nc3[nH]cc(C#N)c23)cc1OC Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158575 OBDepict N N H N N S Cl O H 3 C O NH O CH 3 CH 3 H 3 C Ki < 1.0 nM 445.93 COc1cc(Cl)c(-c2nc(SCC(=O)NC(C)C)nc3[nH]cc(C#N)c23)cc1OC Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158574 OBDepict CH 3 O O CH 3 Cl N S N N N H NH O CH 3 H 3 C Ki < 1.0 nM 459.96 CCOc1cc(-c2nc(SCC(=O)NC(C)C)nc3[nH]cc(C#N)c23)c(Cl)cc1OC Homo sapiens CHEMBL2162319 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 = 1.1 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 CHEMBL1103015 single protein format
CHEMBL2158626 OBDepict CH 3 N CH 3 O Cl Cl N S N N H 3 C N H Ki = 2.0 nM 450.4 CCN(CC)CCOc1cc(-c2nc(SC)nc3[nH]cc(C#N)c23)c(Cl)cc1Cl Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158570 OBDepict CH 3 HN O S N N N H Cl O N H 3 C O H 3 C Ki = 2.0 nM 431.91 CCNC(=O)CSc1nc(-c2cc(OC)c(OC)cc2Cl)c2c(C#N)c[nH]c2n1 Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158577 OBDepict F HN O S N N N H Cl OH N O CH 3 Ki = 2.0 nM 435.87 COc1cc(Cl)c(-c2nc(SCC(=O)NCCF)nc3[nH]cc(C#N)c23)cc1O Homo sapiens CHEMBL2162319 single protein 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 CHEMBL3242257 single protein format
CHEMBL2158627 OBDepict CH 3 O O Cl N N S N N CH 3 N H H F Ki = 3.0 nM 461.95 COc1cc(Cl)c(-c2nc(SC)nc3[nH]cc(C#N)c23)cc1OCCN1CC[C@H](F)C1 Homo sapiens CHEMBL2162319 single protein format
CHEMBL2158569 OBDepict N N H N N S Cl OH O NH O CH 3 CH 3 H 3 C Ki = 3.0 nM 431.91 COc1cc(Cl)c(-c2nc(SCC(=O)NC(C)C)nc3[nH]cc(C#N)c23)cc1O Homo sapiens CHEMBL2162319 single protein format
CHEMBL339231 OBDepict CH 3 O H H OH H CH 3 H CH 3 CH 3 O NH 2 H O N H O H O O H 2 N H 3 C O H 3 C Ki = 3.0 nM 545.63 CO[C@H]1/C=CC=C(/C)C(=O)NC2=CC(=O)C(N)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(C)[C@@H]1OC(N)=O)C2=O Homo sapiens CHEMBL1103015 single protein format
CHEMBL2011854 OBDepict NH 2 N N H 3 C N CH 3 H 3 C CH 3 O IC50 = 4.0 nM 334.42 Cc1cn(-c2ccc3c(C)nc(N)nc3c2)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL2016162 cell-based format
CHEMBL2158625 OBDepict CH 3 S N N N H Cl O N Cl N Ki = 4.0 nM 448.38 CSc1nc(-c2cc(OCCN3CCCC3)c(Cl)cc2Cl)c2c(C#N)c[nH]c2n1 Homo sapiens CHEMBL2162319 single protein format
CHEMBL3104858 OBDepict NH 2 O HN F N H O CH 3 H 3 C CH 3 O Ki = 4.0 nM 399.47 Cc1cn(-c2cc(F)c(C(N)=O)c(N[C@H]3CCOC3)c2)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3106550 cell-based format
CHEMBL1941077 OBDepict CH 3 NH O N O N H O O HO CH 3 CH 3 OH IC50 < 5.0 nM 399.4 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccco1 Homo sapiens CHEMBL1943442 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 CHEMBL2424067 single protein format
CHEMBL1940939 OBDepict OH O F F F CH 3 HN O N O N H O OH NH H 3 C H 3 C HO IC50 < 5.0 nM 530.5 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)C1CCNCC1.O=C(O)C(F)(F)F Homo sapiens CHEMBL1943442 single protein format
CHEMBL1941078 OBDepict CH 3 NH O N O N H O O HO H 3 C CH 3 CH 3 OH IC50 < 5.0 nM 413.43 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccc(C)o1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL3309990 OBDepict H 2 N N N N N F O O Ki = 5.0 nM 337.31 Nc1nc2c3c(F)cccc3nc(Cc3ccc4c(c3)OCO4)n2n1 Homo sapiens CHEMBL3381049 single protein format
CHEMBL2158576 OBDepict F NH O S N N N H Cl O N CH 3 O CH 3 Ki = 5.0 nM 449.9 COc1cc(Cl)c(-c2nc(SCC(=O)NCCF)nc3[nH]cc(C#N)c23)cc1OC Homo sapiens CHEMBL2162319 single protein format
CHEMBL1940937 OBDepict H 3 C N H O N O HN O H OH CH 3 H 3 C OH H O NH 2 IC50 < 5.0 nM 458.52 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@H](C(N)=O)CC1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL3235354 OBDepict O HN N CH 3 H 3 C CH 3 O Ki = 5.0 nM 404.55 Cc1cn(-c2cc3c(c(C4CCCCC4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3242257 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 CHEMBL3242257 single protein format
CHEMBL1940935 OBDepict CH 3 N H O N O N H O H OH H 3 C H 3 C HO H N H S O O IC50 < 5.0 nM 584.7 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL1940941 OBDepict H 3 C HN O N O N H O H OH H CH 3 H 3 C OH O O CH 3 IC50 < 5.0 nM 459.5 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@@H]1CC[C@H](C(=O)OC)C1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL1940945 OBDepict H 3 C NH O N O N H O H HO CH 3 CH 3 OH H HO IC50 < 5.0 nM 431.49 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL1940938 OBDepict H 3 C N H O N O HN O H OH CH 3 H 3 C OH H O NH 2 IC50 < 5.0 nM 458.52 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@@H](C(N)=O)CC1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL1940946 OBDepict H 3 C NH O N O N H O H HO CH 3 CH 3 OH H HO IC50 < 5.0 nM 431.49 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@@H](O)CC1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL1940948 OBDepict H 3 C NH O N O N H O H HO CH 3 CH 3 OH H OH IC50 < 5.0 nM 445.52 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@H](CO)CC1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL1941046 OBDepict H 3 C N H O N O HN O H OH CH 3 H 3 C OH H N O ClH IC50 < 5.0 nM 537.06 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@H](N2CCOCC2)CC1.Cl Homo sapiens CHEMBL1943442 single protein format
CHEMBL252164 OBDepict H 3 C HN O N O OH N H 3 C H 3 C HO O IC50 = 7.0 nM 465.55 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1 Homo sapiens CHEMBL1103009 single protein format
CHEMBL2158630 OBDepict CH 3 N CH 3 S N N N H Cl O N H 3 C O H 3 C Ki = 7.0 nM 445.98 CCN(CC)CCSc1nc(-c2cc(OC)c(OC)cc2Cl)c2c(C#N)c[nH]c2n1 Homo sapiens CHEMBL2162319 single protein format
CHEMBL1941047 OBDepict H 3 C N H O N O HN O H OH CH 3 H 3 C OH H N O ClH IC50 = 7.4 nM 537.06 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@@H](N2CCOCC2)CC1.Cl Homo sapiens CHEMBL1943442 single protein format
CHEMBL2158563 OBDepict CH 3 N CH 3 O Cl Cl N S N N N H NH O H 3 C Ki = 8.0 nM 507.45 CCN(CC)CCOc1cc(-c2nc(SCC(=O)NC)nc3[nH]cc(C#N)c23)c(Cl)cc1Cl Homo sapiens CHEMBL2162319 single protein format
CHEMBL1938422 OBDepict OH O F F F CH 3 N H H H N H O N O HN O HO H 3 C CH 3 CH 3 OH IC50 = 8.6 nM 572.58 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@H](CNC)CC1.O=C(O)C(F)(F)F Homo sapiens CHEMBL1943442 single protein format
CHEMBL1941049 OBDepict H 3 C HN O N O N H O H OH H 3 C H 3 C HO H N O ClH IC50 = 8.8 nM 551.08 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@H](CN2CCOCC2)CC1.Cl Homo sapiens CHEMBL1943442 single protein format
CHEMBL3310151 OBDepict CH 3 N N F N N N N H 2 N O O Ki = 9.0 nM 435.46 CN1CCN(c2cc(F)c3c(c2)nc(Cc2ccc4c(c2)OCO4)n2nc(N)nc32)CC1 Homo sapiens CHEMBL3381049 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 = 9.0 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 CHEMBL1103015 single protein format
CHEMBL1941068 OBDepict CH 3 NH O N O N H O S HO CH 3 N H 3 C CH 3 CH 3 OH IC50 = 10.0 nM 444.51 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1sc(C)nc1C Homo sapiens CHEMBL1943442 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 CHEMBL3242257 single protein format
CHEMBL1940949 OBDepict H 3 C N H O N O HN O H OH H CH 3 H 3 C OH N O IC50 = 12.0 nM 500.6 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)C1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL339231 OBDepict CH 3 O H H OH H CH 3 H CH 3 CH 3 O NH 2 H O N H O H O O H 2 N H 3 C O H 3 C IC50 = 12.0 nM 545.63 CO[C@H]1/C=CC=C(/C)C(=O)NC2=CC(=O)C(N)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(C)[C@@H]1OC(N)=O)C2=O Homo sapiens CHEMBL1103007 cell-based format
CHEMBL3235335 OBDepict CH 3 N N O N H H 3 C H 3 C O H 2 N Ki = 12.0 nM 434.58 CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NC5CCCC5)c4)c2C1)CC(C)(C)CC3=O Homo sapiens CHEMBL3242257 single protein format
CHEMBL3309998 OBDepict OH NH N N N N H 2 N O O Ki = 12.0 nM 378.39 Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4c(c3)OCO4)n2n1 Homo sapiens CHEMBL3381049 single protein format
CHEMBL2158628 OBDepict CH 3 O O Cl N N S N N CH 3 N H F F Ki = 12.0 nM 479.94 COc1cc(Cl)c(-c2nc(SC)nc3[nH]cc(C#N)c23)cc1OCCN1CCC(F)(F)C1 Homo sapiens CHEMBL2162319 single protein format
CHEMBL1940944 OBDepict H 3 C HN O N O N H O H OH H CH 3 H 3 C OH OH IC50 = 12.6 nM 431.49 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@@H]1CC[C@H](CO)C1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL467399 OBDepict CH 3 O CH 3 CH 3 N N N N H 2 N N Cl Ki = 13.0 nM 318.77 COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C Homo sapiens CHEMBL1103015 single protein format
CHEMBL1940943 OBDepict CH 3 NH O N O N H O OH OH H 3 C H 3 C HO IC50 = 14.0 nM 403.44 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)C1CC(O)C1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL199532 OBDepict CH 3 O S I N N N NH 2 N N H H 3 C CH 3 H 3 C IC50 = 14.0 nM 512.42 COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCNC(C)(C)C)c1 Homo sapiens CHEMBL1020361 cell-based format
CHEMBL1941076 OBDepict H 3 C N H O N O HN O OH O CH 3 H 3 C OH N IC50 = 15.0 nM 450.45 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccc2ncoc2c1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL1940947 OBDepict H 3 C NH O N O N H O H HO CH 3 CH 3 OH H OH IC50 = 15.0 nM 445.52 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@@H](CO)CC1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL3235360 OBDepict O HN N CH 3 H 3 C CH 3 O Ki = 15.0 nM 398.51 Cc1cn(-c2cc3c(c(-c4ccccc4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3242257 single protein format
CHEMBL3235355 OBDepict O HN N O CH 3 H 3 C CH 3 O IC50 = 19.0 nM 406.53 Cc1cn(-c2cc3c(c(C4CCOCC4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3242260 cell-based format
CHEMBL1941062 OBDepict H 3 C HN O N O N H O N OH O CH 3 H 3 C OH O CH 3 IC50 = 19.0 nM 442.43 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1cc(C(C)=O)on1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL3235336 OBDepict CH 3 N N O HN H 3 C CH 3 O NH 2 Ki = 19.0 nM 420.56 CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC5CC5)c4)c2C1)CC(C)(C)CC3=O Homo sapiens CHEMBL3242257 single protein format
CHEMBL1941048 OBDepict H 3 C HN O N O N H O H OH H 3 C H 3 C HO H N O ClH IC50 = 19.6 nM 551.08 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@@H](CN2CCOCC2)CC1.Cl Homo sapiens CHEMBL1943442 single protein format
CHEMBL1941061 OBDepict H 3 C HN O N O N H O N OH O CH 3 H 3 C OH CH 3 IC50 = 20.0 nM 428.45 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1cc(CC)on1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL1941075 OBDepict H 3 C N H O N O HN O OH S CH 3 H 3 C OH IC50 = 20.0 nM 465.53 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccc2ccsc2c1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL414883 OBDepict O Cl OH O O OH H O H H H 3 C IC50 = 20.0 nM 364.78 C[C@@H]1C[C@H]2O[C@@H]2/C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 Homo sapiens CHEMBL1020360 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 CHEMBL1020372 single protein format
CHEMBL468781 OBDepict CH 3 O CH 3 N CH 3 N N N H 2 N N Cl IC50 = 20.0 nM 318.77 COc1c(C)ncc(Cn2cnc3c(Cl)nc(N)nc32)c1C Homo sapiens CHEMBL1020363 cell-based 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 CHEMBL3242257 single protein format
CHEMBL3235339 OBDepict CH 3 HN N O H 2 N N H 3 C CH 3 O CH 3 Ki = 21.0 nM 408.55 CCCNc1cc(-n2c3c(c4c2CC(C)(C)CC4=O)CCN(C)C3)ccc1C(N)=O Homo sapiens CHEMBL3242257 single protein format
CHEMBL3661115 OBDepict H 3 C N N O H 2 N N CH 3 H 3 C N N N N CH 3 Ki = 21.3 nM 454.54 CCc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 Homo sapiens CHEMBL4403662 assay format
CHEMBL1941059 OBDepict H 3 C N H O N O N H O OH H 3 C H 3 C HO N IC50 = 22.0 nM 478.55 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccc(N2CCCC2)cc1 Homo sapiens CHEMBL1943442 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 = 22.0 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 CHEMBL1103007 cell-based format
CHEMBL1941064 OBDepict CH 3 NH O N O N H O O HO Br CH 3 CH 3 OH IC50 = 22.0 nM 478.3 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccc(Br)o1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL3235342 OBDepict H 3 C N N O NH CH 3 CH 3 O H 2 N H 3 C O Ki = 22.0 nM 450.58 CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC5(C)COC5)c4)c2C1)CC(C)(C)CC3=O Homo sapiens CHEMBL3242257 single protein format
CHEMBL3235344 OBDepict H 3 C N N O NH CH 3 CH 3 O NH 2 CH 3 CH 3 H 3 C Ki = 22.0 nM 436.6 CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC(C)(C)C)c4)c2C1)CC(C)(C)CC3=O Homo sapiens CHEMBL3242257 single protein format
CHEMBL1941056 OBDepict CH 3 N H O N O HN O OH CH 3 H 3 C OH N N H 3 C IC50 = 24.0 nM 507.59 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccc(N2CCN(C)CC2)cc1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL3235353 OBDepict O HN N CH 3 H 3 C CH 3 O IC50 = 24.0 nM 390.53 Cc1cn(-c2cc3c(c(C4CCCC4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3242260 cell-based format
CHEMBL1940940 OBDepict OH O F F F H 3 C NH O N O N H O HO N CH 3 CH 3 OH H 3 C IC50 = 24.0 nM 544.53 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)C1CCN(C)CC1.O=C(O)C(F)(F)F Homo sapiens CHEMBL1943442 single protein format
CHEMBL1940930 OBDepict H 3 C NH O N O N H O H HO CH 3 CH 3 OH H O CH 3 IC50 = 24.0 nM 445.52 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@@H](OC)CC1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL1941060 OBDepict CH 3 N H O N O N H O O OH N H 3 C CH 3 HO HN O CH 3 IC50 = 24.0 nM 471.47 CCNC(=O)c1cc(C(=O)Nc2c(C(=O)NCC)noc2-c2cc(C(C)C)c(O)cc2O)on1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL365617 OBDepict CH 3 N H O N N H OH O Cl H 3 C HO IC50 = 25.0 nM 387.82 CCNC(=O)c1n[nH]c(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1 Homo sapiens CHEMBL1020372 single protein format
CHEMBL3235343 OBDepict H 3 C NH CH 3 N O NH 2 N CH 3 CH 3 O CH 3 Ki = 25.0 nM 408.55 CC(C)Nc1cc(-n2c3c(c4c2CC(C)(C)CC4=O)CCN(C)C3)ccc1C(N)=O Homo sapiens CHEMBL3242257 single protein format
CHEMBL3235338 OBDepict CH 3 N N O HN H 3 C CH 3 O NH 2 S Ki = 25.0 nM 466.65 CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NC5CCSCC5)c4)c2C1)CC(C)(C)CC3=O Homo sapiens CHEMBL3242257 single protein format
CHEMBL1941052 OBDepict H 3 C NH O N O N H O HO CH 3 CH 3 OH O CH 3 IC50 = 26.0 nM 439.47 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccc(OC)cc1 Homo sapiens CHEMBL1943442 single protein format
CHEMBL3235352 OBDepict H 3 C CH 3 N O HN CH 3 H 3 C CH 3 O Ki = 26.0 nM 378.52 Cc1cn(-c2cc3c(c(CC(C)C)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3242257 single protein format
CHEMBL3686101 OBDepict O O H 2 N N N O N OH H 3 C CH 3 HO N H 3 C IC50 = 27.0 nM 541.61 CC(C)c1cc(-c2nn(COC(=O)C(N)Cc3ccccc3)c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O Homo sapiens CHEMBL3705473 single protein format
CHEMBL1941066 OBDepict H 3 C HN O N O N H O S OH CH 3 N H 3 C H 3 C HO N IC50 = 27.0 nM 507.57 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1sc(-c2ccncc2)nc1C Homo sapiens CHEMBL1943442 single protein format
CHEMBL1940932 OBDepict H 3 C NH O N O N H O H HO CH 3 CH 3 OH H H 2 N ClH IC50 = 28.0 nM 466.97 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@H](N)CC1.Cl Homo sapiens CHEMBL1943442 single protein format
CHEMBL252124 OBDepict CH 3 N H O N O OH O Cl H 3 C HO IC50 = 28.0 nM 388.81 CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1 Homo sapiens CHEMBL1020372 single protein format
CHEMBL212133 OBDepict H 3 C O P O O N CH 3 S N N N S N NH 2 N Br IC50 = 28.0 nM 544.4 CCOP(=O)(CCn1c(Sc2nc3cncc(Br)c3s2)nc2c(N)ncnc21)OCC Homo sapiens CHEMBL1020361 cell-based format
CHEMBL3686100 OBDepict H 3 C CH 3 NH 2 O O N N O N OH CH 3 H 3 C OH N H 3 C IC50 = 29.0 nM 493.56 CC(C)c1cc(-c2nn(COC(=O)C(N)C(C)C)c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O Homo sapiens CHEMBL3705473 single protein format