Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50154217
Substrate
n/a
Meas. Tech.
ChEMBL_305579 (CHEMBL828027)
IC50
>400000±n/a nM
Citation
 Ferrari, AMWei, BQCostantino, LShoichet, BK Soft docking and multiple receptor conformations in virtual screening. J Med Chem 47:5076-84 (2004) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
AKR1B1 | ALDR_PIG | ALR2 | AR | Aldose reductase
Type:
PROTEIN
Mol. Mass.:
35865.31
Organism:
Sus scrofa
Description:
ChEMBL_502637
Residue:
316
Sequence:
MASHLVLYTGAKMPILGLGTWKSPPGKVTEAVKVAIDLGYRHIDCAHVYQNENEVGLGLQEKLQGQVVKREDLFIVSKLWCTDHEKNLVKGACQTTLRDLKLDYLDLYLIHWPTGFKPGKDPFPLDGDGNVVPDESDFVETWEAMEELVDEGLVKAIGVSNFNHLQVEKILNKPGLKYKPAVNQIEVHPYLTQEKLIEYCKSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKYNKTTAQVLIRFPMQRNLIVIPKSVTPERIAENFQVFDFELSPEDMNTLLSYNRNWRVCALMSCASHKDYPFHEEY
  
Inhibitor
Name:
BDBM50154217
Synonyms:
3-(4-Chloro-benzyloxy)-2-(3,3-dimethyl-butyrylamino)-butyric acid | CHEMBL187528
Type:
Small organic molecule
Emp. Form.:
C17H24ClNO4
Mol. Mass.:
341.83
SMILES:
CC(OCc1ccc(Cl)cc1)C(NC(=O)CC(C)(C)C)C(O)=O
Structure:
Search PDB for entries with ligand similarity: