Reaction Details | |||
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Target | Heat shock protein HSP 90-beta | ||
Ligand | BDBM50030864 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_498597 (CHEMBL1021924) | ||
Kd | 1400±n/a nM | ||
Citation | Tian, ZQ; Wang, Z; MacMillan, KS; Zhou, Y; Carreras, CW; Mueller, T; Myles, DC; Liu, Y Potent cytotoxic C-11 modified geldanamycin analogues. J Med Chem52:3265-73 (2009) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Heat shock protein HSP 90-beta | |||
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: |
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BDBM50030864 | |||
n/a | |||
Name | BDBM50030864 | ||
Synonyms: | (8S,9S,12S,13R,14S,16R)-19-(azetidin-1-yl)-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 | CHEMBL433670 | Carbamic acid (4E,6Z)-(13S,14S,17R,19S)-19-azetidin-1-yl-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-azetidin-1-yl-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. | C31H43N3O8 | ||
Mol. Mass. | 585.6884 | ||
SMILES | CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N1CCC1 |r,w:17.16,14.14,6.6,t:28| | ||
Structure |