Reaction Details |
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Target | Heat shock protein HSP 90-alpha |
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Ligand | BDBM50031734 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1432555 (CHEMBL3387537) |
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IC50 | 12±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 |
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 |
Type: | Molecular Chaperone |
Mol. Mass.: | 84623.45 |
Organism: | Homo sapiens (Human) |
Description: | P07900 |
Residue: | 732 |
Sequence: | MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIR
YESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFME
ALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPM
GRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKED
KEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRN
PDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNN
IKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKC
LELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDY
CTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKT
LVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIV
TSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVK
DLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLE
GDDDTSRMEEVD
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BDBM50031734 |
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n/a |
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Name | BDBM50031734 |
Synonyms: | CHEMBL3360306 |
Type | Small organic molecule |
Emp. Form. | C21H21N5O2 |
Mol. Mass. | 375.4237 |
SMILES | COc1cccc(n1)-c1cc(C)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| |
Structure |
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