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

Pfam Domain Table

AccessionDomainRangeColor
PF00183HSP90 - Hsp90 protein196~714
PF13589HATPase_c_3 - Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase43~159

3D structures mapped by conservation among orthologs

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

 PyMOL session

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

 PyMOL session

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

 PyMOL session

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

 PyMOL session


[ Alpha Fold Model ] (go)



Known binders annotated in ChEMBL

 IC50 CSV    Ki CSV
Only the first 20 rows are shown.
molecule_chembl_idstructureassay_typerelation valueunitmol_wtsmilesorganism assay_chembl_idbao_label
CHEMBL2205798 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 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 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 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
CHEMBL2205799 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 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
CHEMBL560895 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
CHEMBL3675264 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
CHEMBL4849823 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 IC50 = 3.9 nM 375.86 COc1c(C)cnc(Cn2cc(CCCO)c3c(Cl)nc(N)nc32)c1C Homo sapiens CHEMBL2212191 single protein format
CHEMBL3675257 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
CHEMBL3675267 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
CHEMBL3675270 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
CHEMBL1407606 IC50 = 4.05 nM 330.38 COC(=O)c1ccccc1OCCCOc1ccc(C)cc1OC Homo sapiens CHEMBL1614478 single protein format
CHEMBL3235353 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
CHEMBL3234779 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 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
CHEMBL4544701 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
CHEMBL3234776 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
CHEMBL267792 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