Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1 [W220Y,C299A]
Ligand
BDBM16423
Substrate
BDBM16416
Meas. Tech.
Enzyme Inhibition Assay
Ki
62000±n/a nM
Citation
Brownlee, JM; Carlson, E; Milne, AC; Pape, E; Harrison, DH Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes. Bioorg Chem 34:424-44 (2006) [PubMed] Article
More Info.:
Target
Name:
Aldo-keto reductase family 1 member B1 [W220Y,C299A]
Synonyms:
AKR1B1 | ALDR1 | ALDR_HUMAN | ALR2 | AR | Aldose Reductase (ALR2) Mutant (C299A/W220Y)
Type:
Enzyme
Mol. Mass.:
35800.39
Organism:
Homo sapiens (Human)
Description:
P15121[W220Y,C299A]
Residue:
316
Sequence:
MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPYAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVAALLSCTSHKDYPFHEEF
Inhibitor
Name:
BDBM16423
Synonyms:
2-(2-methylphenyl)acetic acid | 2-Methylphenylacetic acid | NSC16053 | o-Tolylacetic acid
Type:
Small organic molecule
Emp. Form.:
C9H10O2
Mol. Mass.:
150.1745
SMILES:
Cc1ccccc1CC(O)=O