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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM16433
Substrate
BDBM16416
Meas. Tech.
Enzyme Inhibition Assay
pH
7±n/a
Temperature
298.15±n/a K
Ki
68600±9100 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 
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:
BDBM16433
Synonyms:
CHEMBL14184 | Caproic acid | Hexanoic acid | n-Caproic acid
Type:
Small organic molecule
Emp. Form.:
C6H12O2
Mol. Mass.:
116.1583
SMILES:
CCCCCC(O)=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM16416
Synonyms:
pentane-1,2,3,4,5-pentol | xylitol
Type:
Small organic molecule
Emp. Form.:
C5H12O5
Mol. Mass.:
152.1458
SMILES:
OCC(O)C(O)C(O)CO
Structure:
Search PDB for entries with ligand similarity: