Reaction Details | |||
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Target | Heat shock protein HSP 90-alpha | ||
Ligand | BDBM50343383 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_746939 (CHEMBL1777305) | ||
Ki | 13±n/a nM | ||
Citation | Zehnder, L; Bennett, M; Meng, J; Huang, B; Ninkovic, S; Wang, F; Braganza, J; Tatlock, J; Jewell, T; Zhou, JZ; Burke, B; Wang, J; Maegley, K; Mehta, PP; Yin, MJ; Gajiwala, KS; Hickey, MJ; Yamazaki, S; Smith, E; Kang, P; Sistla, A; Dovalsantos, E; Gehring, MR; Kania, R; Wythes, M; Kung, PP Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyr J Med Chem54:3368-85 (2011) [PubMed] Article | ||
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: |
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BDBM50343383 | |||
n/a | |||
Name | BDBM50343383 | ||
Synonyms: | 2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic Acid Ethylamide | CHEMBL1774921 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H21Cl2N7O2 | ||
Mol. Mass. | 462.332 | ||
SMILES | CCNC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(44.4,3.73,;42.86,3.73,;42.1,2.39,;40.56,2.38,;39.78,3.71,;39.79,1.05,;38.27,.88,;37.95,-.62,;36.62,-1.39,;36.62,-2.94,;35.29,-3.71,;37.96,-3.71,;39.29,-2.94,;39.29,-1.39,;40.42,-.35,;40.62,-3.7,;40.62,-5.25,;39.29,-6.02,;41.95,-6.01,;43.29,-5.24,;44.62,-6.01,;43.28,-3.69,;41.94,-2.93,;41.94,-1.39,;43.27,-.62,;44.61,-1.38,;45.94,-.61,;47.34,-1.22,;48.37,-.07,;47.59,1.26,;46.09,.93,)| | ||
Structure |