Reaction Details | |||
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Target | Heat shock protein HSP 90-alpha | ||
Ligand | BDBM50030868 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_320742 (CHEMBL881215) | ||
Kd | 100±n/a nM | ||
Citation | Rastelli, G; Tian, ZQ; Wang, Z; Myles, D; Liu, Y Structure-based design of 7-carbamate analogs of geldanamycin. Bioorg Med Chem Lett15:5016-21 (2005) [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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BDBM50030868 | |||
n/a | |||
Name | BDBM50030868 | ||
Synonyms: | (8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate | 17-amino-17-demethoxygeldanamycin | 17-desmethoxy-17-aminogeldanamycin | CHEMBL339231 | Carbamic acid (4E,6Z)-(13S,14S,17R,19S)-19-amino-13-(S)-hydroxy-8,14-dimethoxy-4,12,16-trimethyl-10-(R)-methyl-3,20,22-trioxo-2-aza-bicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl ester | Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-aza-bicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl ester | ||
Type | Small organic molecule | ||
Emp. Form. | C28H39N3O8 | ||
Mol. Mass. | 545.6246 | ||
SMILES | CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |r,w:20.19,17.17,6.6,t:31| | ||
Structure |