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Target
Aldo-keto reductase family 1 member B1 [W220Y,C299A]
Ligand
BDBM16431
Substrate
BDBM16416
Meas. Tech.
Enzyme Inhibition Assay
Ki
94000±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 
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:
BDBM16431
Synonyms:
2-(naphthalen-2-yl)acetic acid | 2-Napthylacetic acid | Betoxan | CHEMBL948 | beta-Naphthylacetic acid | naphthalen-2-ylacetic acid
Type:
Small organic molecule
Emp. Form.:
C12H10O2
Mol. Mass.:
186.2066
SMILES:
OC(=O)Cc1ccc2ccccc2c1
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: