| Reaction Details |
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 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member B1 |
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| Ligand | BDBM50009777 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_457959 (CHEMBL924228) |
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| IC50 | 56.5±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 |
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| Synonyms: | AKR1B1 | ALDR1 | ALDR_HUMAN | ALR2 | AR | Aldo-keto reductase family 1 member B1 (AKR1B1) | Aldose Reductase (ALR2) | Aldose reductase | Aldose reductase (AR) |
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| Type: | Protein |
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| Mol. Mass.: | 35855.50 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0 |
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| Residue: | 316 |
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| Sequence: | MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQ
EKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGK
EFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKP
AVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAK
HNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCA
LLSCTSHKDYPFHEEF
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| BDBM50009777 |
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| n/a |
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| Name | BDBM50009777 |
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| Synonyms: | (ponalrestat)[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid | CHEMBL7679 | Ponalrestat | Ponalrestat (statil) | [3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid | [3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid(ponalrestat) |
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| Type | Small organic molecule |
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| Emp. Form. | C17H12BrFN2O3 |
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| Mol. Mass. | 391.191 |
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| SMILES | OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12 |
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| Structure | 
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