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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50009820
Substrate
n/a
Meas. Tech.
ChEBML_157078
IC50
660.0±n/a nM
Citation
 Mylari, BL; Larson, ER; Beyer, TA; Zembrowski, WJ; Aldinger, CE; Dee, MF; Siegel, TW; Singleton, DH Novel, potent aldose reductase inhibitors: 3,4-dihydro-4-oxo-3-[[5-(trifluoromethyl)-2-benzothiazolyl] methyl]-1-phthalazineacetic acid (zopolrestat) and congeners. J Med Chem 34:108-22 (1991) [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:
BDBM50009820
Synonyms:
CHEMBL431108 | [3-(5-Methoxy-7-trifluoromethyl-benzothiazol-2-ylmethyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid
Type:
Small organic molecule
Emp. Form.:
C20H14F3N3O4S
Mol. Mass.:
449.403
SMILES:
COc1cc(c2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1)C(F)(F)F
Structure:
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