| 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 | BDBM16239 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_457959 (CHEMBL924228) |
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| IC50 | 6±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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| BDBM16239 |
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| n/a |
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| Name | BDBM16239 |
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| Synonyms: | 2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}phenoxy)acetic acid | CHEMBL241577 | IDD 393 | IDD393 (3) | {5-chloro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C16H13ClN2O6 |
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| Mol. Mass. | 364.737 |
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| SMILES | OC(=O)COc1cc(Cl)ccc1C(=O)NCc1cccc(c1)[N+]([O-])=O |
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| Structure | 
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