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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM16237
Substrate
BDBM16234
Meas. Tech.
Enzyme Inhibition Assay
pH
6.2±n/a
Temperature
298.15±n/a K
IC50
17700±2400 nM
Citation
 Steuber, H; Heine, A; Klebe, G Structural and thermodynamic study on aldose reductase: nitro-substituted inhibitors with strong enthalpic binding contribution. J Mol Biol 368:618-38 (2007) [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:
BDBM16237
Synonyms:
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid | DP001236 | Ligand 8
Type:
Small organic molecule
Emp. Form.:
C12H11ClN2O3
Mol. Mass.:
266.68
SMILES:
OC(=O)CCCc1nc(no1)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM16234
Synonyms:
(3R,4S,5R)-oxane-2,3,4,5-tetrol | D-xylopyranose | D-xylose | Xyloside | cid_135191
Type:
Small organic molecule
Emp. Form.:
C5H10O5
Mol. Mass.:
150.1299
SMILES:
O[C@@H]1COC(O)[C@H](O)[C@H]1O
Structure:
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