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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50237838
Substrate
n/a
Meas. Tech.
ChEMBL_627900 (CHEMBL1103716)
IC50
741±n/a nM
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 Chem 45:1663-6 (2010) [PubMed]  Article
Target
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:
MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCALLSCTSHKDYPFHEEF
  
Inhibitor
Name:
BDBM50237838
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
Type:
Small organic molecule
Emp. Form.:
C18H14N2O12
Mol. Mass.:
450.31
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
Structure:
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