Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Heat shock protein HSP 90-alpha/90-beta | ||
Ligand | BDBM50097902 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1502283 (CHEMBL3591362) | ||
Ki | 9.7±n/a nM | ||
Citation | Smith, DA; Beaumont, K; Maurer, TS; Di, L Volume of Distribution in Drug Design. J Med Chem58:5691-8 (2015) [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: |
| ||
BDBM50097902 | |||
n/a | |||
Name | BDBM50097902 | ||
Synonyms: | CHEMBL3589957 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H24Cl2F3N7O2 | ||
Mol. Mass. | 558.384 | ||
SMILES | CC(C)(CC(F)(F)F)NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(5.89,.33,;6.49,1.4,;7.12,.35,;7.24,2.75,;8.78,2.77,;9.39,3.84,;10.02,2.79,;9.41,1.71,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;-1.02,-3.09,;.31,-3.87,;1.37,-3.26,;.3,-5.41,;-1.04,-6.17,;-1.04,-7.41,;-2.37,-5.4,;-2.36,-3.86,;-3.69,-3.09,;-5.03,-3.85,;-6.36,-3.08,;-7.7,-3.85,;-9.09,-3.21,;-10.12,-4.35,;-9.35,-5.69,;-7.84,-5.37,)| | ||
Structure |