Reaction Details | |||
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Target | Heat shock protein HSP 90-alpha/90-beta | ||
Ligand | BDBM50480379 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_572660 (CHEMBL1026859) | ||
IC50 | 11±n/a nM | ||
Citation | Huang, KH; Veal, JM; Fadden, RP; Rice, JW; Eaves, J; Strachan, JP; Barabasz, AF; Foley, BE; Barta, TE; Ma, W; Silinski, MA; Hu, M; Partridge, JM; Scott, A; DuBois, LG; Freed, T; Steed, PM; Ommen, AJ; Smith, ED; Hughes, PF; Woodward, AR; Hanson, GJ; McCall, WS; Markworth, CJ; Hinkley, L; Jenks, M; Geng, L; Lewis, M; Otto, J; Pronk, B; Verleysen, K; Hall, SE Discovery of novel 2-aminobenzamide inhibitors of heat shock protein 90 as potent, selective and orally active antitumor agents. J Med Chem52:4288-305 (2009) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Heat shock protein HSP 90-alpha/90-beta | |||
Name: | Heat shock protein HSP 90-alpha/90-beta | ||
Synonyms: | Heat Shock Protein 90 (Hsp90) | Heat shock protein HSP 90 | Heat shock protein HSP90 | ||
Type: | n/a | ||
Mol. Mass.: | n/a | ||
Description: | ASSAY_ID of EBI is 29664 | ||
Components: | This complex has 2 components. | ||
Component 1 | |||
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: |
| ||
Component 2 | |||
Name: | Heat shock protein HSP 90-beta | ||
Synonyms: | HS90B_HUMAN | HSP 84 | HSP 90 | HSP90AB1 | HSP90B | HSPC2 | HSPCB | Heat Shock Protein 90 (Hsp90) | Heat shock protein HSP 90 (Hsp90) | ||
Type: | Molecular Chaperone | ||
Mol. Mass.: | 83229.45 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P08238 | ||
Residue: | 724 | ||
Sequence: |
| ||
BDBM50480379 | |||
n/a | |||
Name | BDBM50480379 | ||
Synonyms: | CHEMBL553939 | SNX-5422 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H34F3N5O7S | ||
Mol. Mass. | 617.638 | ||
SMILES | CS(O)(=O)=O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r,wU:26.29,wD:23.22,(1.33,-.46,;1.33,.77,;1.33,2,;.27,.15,;2.4,.15,;6.56,.62,;6.53,1.85,;5.48,2.5,;7.88,1.07,;9.21,1.85,;9.21,3.39,;10.67,3.86,;11.57,2.64,;10.67,1.39,;11.15,-.08,;10.22,-1.3,;10.82,-2.72,;12.34,-2.91,;12.93,-4.34,;14.16,-4.49,;12.19,-5.31,;13.28,-1.69,;14.81,-1.88,;15.74,-.65,;17.27,-.85,;18.2,.38,;17.6,1.8,;16.07,1.99,;15.14,.76,;18.52,3.03,;17.92,4.45,;16.7,4.6,;18.85,5.68,;18.37,6.82,;12.68,-.27,;11.15,5.32,;12.35,5.58,;10.32,6.24,;11.53,6.49,;7.88,4.18,;7.88,5.41,;6.53,3.39,)| | ||
Structure |