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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Heat shock protein HSP 90-alpha | ||
| Ligand | BDBM32080 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Malachite Green ATPase assay | ||
| IC50 | <10000±n/a nM | ||
| Citation |  Drysdale, MJ; Dymock, BW; Finch, H; Webb, P; McDonald, E; James, KE; Cheung, KM; Matthews, TP Isoxazole compounds as inhibitors of heat shock proteins US Patent US9718793 Publication Date 8/1/2017 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Heat shock protein HSP 90-alpha | |||
| 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: |
| ||
| BDBM32080 | |||
| n/a | |||
| Name | BDBM32080 | ||
| Synonyms: | (4E)-3-hydroxy-5-methyl-4-[4-(1,3-thiazol-4-yl)-3-(trifluoromethyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,5-dien-1-one | (4E)-3-hydroxy-5-methyl-4-[4-(4-thiazolyl)-3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone | (4E)-3-hydroxy-5-methyl-4-[4-thiazol-4-yl-3-(trifluoromethyl)-3-isoxazolin-5-ylidene]cyclohexa-2,5-dien-1-one | (4E)-3-methyl-5-oxidanyl-4-[4-(1,3-thiazol-4-yl)-3-(trifluoromethyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,5-dien-1-one | MLS000060383 | SMR000066055 | US10413550, Example 12d | US11234987, Example 12d | US9718793, 12d$#167; | cid_5742576 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C14H9F3N2O3S | ||
| Mol. Mass. | 342.293 | ||
| SMILES | Cc1cc(O)cc(O)c1-c1onc(c1-c1cscn1)C(F)(F)F |(10.95,-.89,;9.62,-1.66,;9.62,-3.2,;8.28,-3.97,;8.28,-5.51,;6.95,-3.2,;6.95,-1.66,;5.41,-1.66,;8.28,-.89,;8.28,.65,;9.53,1.55,;9.05,3.02,;7.51,3.02,;7.04,1.55,;5.57,1.08,;5.1,-.39,;3.56,-.39,;3.08,1.08,;4.33,1.98,;6.61,4.26,;5.7,5.51,;7.85,5.17,;5.36,3.36,)| | ||
| Structure | 
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