| 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 | BDBM50237838 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_627900 (CHEMBL1103716) |
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| IC50 | 741±n/a nM |
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| Citation |  Koukoulitsa, C; Bailly, F; Pegklidou, K; Demopoulos, VJ; Cotelle, P Evaluation of aldose reductase inhibition and docking studies of 6'-nitro and 6',6''-dinitrorosmarinic acids. Eur J Med Chem45:1663-6 (2010) [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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| BDBM50237838 |
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| n/a |
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| Name | BDBM50237838 |
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| Synonyms: | (R)-3-(4,5-dihydroxy-2-nitrophenyl)-2-(3-(4,5-dihydroxy-2-nitrophenyl)acryloyloxy)propanoic acid | 3-(4,5-dihydroxy-2-nitrophenyl)-2-(3-(4,5-dihydroxy-2-nitrophenyl)acryloyloxy)propanoic acid | CHEMBL261703 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H14N2O12 |
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| Mol. Mass. | 450.31 |
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| SMILES | OC(=O)[C@@H](Cc1cc(O)c(O)cc1[N+]([O-])=O)OC(=O)\C=C\c1cc(O)c(O)cc1[N+]([O-])=O |
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| Structure | 
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