Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50029207
Substrate
n/a
Meas. Tech.
ChEMBL_798533 (CHEMBL1942330)
IC50
570±n/a nM
Citation
 Soda, MHu, DEndo, STakemura, MLi, JWada, RIfuku, SZhao, HTEl-Kabbani, OOhta, SYamamura, KToyooka, NHara, AMatsunaga, T Design, synthesis and evaluation of caffeic acid phenethyl ester-based inhibitors targeting a selectivity pocket in the active site of human aldo-keto reductase 1B10. Eur J Med Chem 48:321-9 (2012) [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:
BDBM50029207
Synonyms:
(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester | (E)-phenethyl 3-(3,4-dihydroxyphenyl)acrylate | 3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester | CAPE | CHEMBL319244 | caffeic acid phenethyl ester | caffeic acid phenethylester | caffeic acid phenylethyl ester | caffeic acid phenylethylester | caffeic acidphenethylester | phenethyl 3-(3,4-dihydroxyphenyl)acrylate | phenethyl caffeate
Type:
Small organic molecule
Emp. Form.:
C17H16O4
Mol. Mass.:
284.3065
SMILES:
Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Structure:
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