| 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 | BDBM50133496 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_627900 (CHEMBL1103716) |
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| IC50 | 3910±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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| BDBM50133496 |
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| n/a |
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| Name | BDBM50133496 |
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| Synonyms: | (2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid | (R)-rosmarinic acid | CHEMBL324842 | Rosmarinic acid, 2 | US10688093, Compound rosmarinic acid | US11701353, rosmarinic acid | cid_5281792 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H16O8 |
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| Mol. Mass. | 360.3148 |
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| SMILES | OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r| |
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| Structure | 
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