| Reaction Details |
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 | Report a problem with these data |
| Target | Heat shock protein HSP 90-alpha |
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| Ligand | BDBM50031728 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1432555 (CHEMBL3387537) |
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| IC50 | 10.0±n/a nM |
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| Citation |  McBride, CM; Levine, B; Xia, Y; Bellamacina, C; Machajewski, T; Gao, Z; Renhowe, P; Antonios-McCrea, W; Barsanti, P; Brinner, K; Costales, A; Doughan, B; Lin, X; Louie, A; McKenna, M; Mendenhall, K; Poon, D; Rico, A; Wang, M; Williams, TE; Abrams, T; Fong, S; Hendrickson, T; Lei, D; Lin, J; Menezes, D; Pryer, N; Taverna, P; Xu, Y; Zhou, Y; Shafer, CM Design, structure-activity relationship, and in vivo characterization of the development candidate NVP-HSP990. J Med Chem57:9124-9 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Heat shock protein HSP 90-alpha |
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| Name: | Heat shock protein HSP 90-alpha |
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| Synonyms: | HS90A_HUMAN | HSP 86 | HSP86 | HSP90A | HSP90AA1 | HSPC1 | HSPCA | Heat Shock Protein 90 (Hsp90) | Heat shock 86 kDa | Heat shock protein HSP 90 (HSP90) | Heat shock protein HSP 90-alpha (HSP90) | Heat shock protein HSP 90-alpha (HSP90A) | LAP-2 | LPS-associated protein 2 | Lipopolysaccharide-associated protein 2 | Renal carcinoma antigen NY-REN-38 | heat shock protein 90kDa alpha (cytosolic), class A member 1 isoform 2 |
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| Type: | Molecular Chaperone |
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| Mol. Mass.: | 84623.45 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P07900 |
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| Residue: | 732 |
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| Sequence: | MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIR
YESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFME
ALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPM
GRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKED
KEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRN
PDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNN
IKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKC
LELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDY
CTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKT
LVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIV
TSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVK
DLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLE
GDDDTSRMEEVD
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| BDBM50031728 |
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| n/a |
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| Name | BDBM50031728 |
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| Synonyms: | CHEMBL3360312 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H17FN6O2 |
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| Mol. Mass. | 380.3757 |
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| SMILES | COc1cncc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| |
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| Structure | 
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