Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50154220
Substrate
n/a
Meas. Tech.
ChEMBL_305579 (CHEMBL828027)
IC50
>300000±n/a nM
Citation
 Ferrari, AM; Wei, BQ; Costantino, L; Shoichet, 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:
BDBM50154220
Synonyms:
3-Benzyloxy-2-benzyloxycarbonylamino-butyric acid | CHEMBL188362
Type:
Small organic molecule
Emp. Form.:
C19H21NO5
Mol. Mass.:
343.3737
SMILES:
CC(OCc1ccccc1)C(NC(=O)OCc1ccccc1)C(O)=O
Structure:
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