Reaction Details |
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Target | Aldo-keto reductase family 1 member B1 |
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Ligand | BDBM50009767 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_457959 (CHEMBL924228) |
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IC50 | 3.1±n/a nM |
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Citation | Ferrari, AM; Degliesposti, G; Sgobba, M; Rastelli, G Validation of an automated procedure for the prediction of relative free energies of binding on a set of aldose reductase inhibitors. Bioorg Med Chem15:7865-77 (2007) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Aldo-keto reductase family 1 member B1 |
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Name: | Aldo-keto reductase family 1 member B1 |
Synonyms: | AKR1B1 | ALDR1 | ALDR_HUMAN | ALR2 | AR | Aldo-keto reductase family 1 member B1 (AKR1B1) | Aldose Reductase (ALR2) | Aldose reductase | Aldose reductase (AR) |
Type: | Protein |
Mol. Mass.: | 35855.50 |
Organism: | Homo sapiens (Human) |
Description: | P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0 |
Residue: | 316 |
Sequence: | MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQ
EKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGK
EFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKP
AVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAK
HNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCA
LLSCTSHKDYPFHEEF
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BDBM50009767 |
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n/a |
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Name | BDBM50009767 |
Synonyms: | 2-(4-oxo-3-((6-(trifluoromethyl)benzo[d]thiazol-2-yl)methyl)-3,4-dihydrophthalazin-1-yl)acetic acid | CHEMBL20740 | [4-Oxo-3-(6-trifluoromethyl-benzothiazol-2-ylmethyl)-3,4-dihydro-phthalazin-1-yl]-acetic acid |
Type | Small organic molecule |
Emp. Form. | C19H12F3N3O3S |
Mol. Mass. | 419.377 |
SMILES | OC(=O)Cc1nn(Cc2nc3ccc(cc3s2)C(F)(F)F)c(=O)c2ccccc12 |
Structure |
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