Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50006526
Substrate
n/a
Meas. Tech.
ChEBML_31757
IC50
11000±n/a nM
Citation
 Lipinski, CA; Aldinger, CE; Beyer, TA; Bordner, J; Burdi, DF; Bussolotti, DL; Inskeep, PB; Siegel, TW Hydantoin bioisosteres. In vivo active spiro hydroxy acetic acid aldose reductase inhibitors. J Med Chem 35:2169-77 (1992) [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:
BDBM50006526
Synonyms:
(6-Fluoro-4-hydroxy-3-methyl-chroman-4-yl)-acetic acid | CHEMBL302014
Type:
Small organic molecule
Emp. Form.:
C12H13FO4
Mol. Mass.:
240.2276
SMILES:
C[C@@H]1COc2ccc(F)cc2[C@]1(O)CC(O)=O
Structure:
Search PDB for entries with ligand similarity: