Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50154218
Substrate
n/a
Meas. Tech.
ChEMBL_305137 (CHEMBL832432)
IC50
274000±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:
BDBM50154218
Synonyms:
1-(3-Bromo-phenyl)-5-phenyl-1H-[1,2,3]triazole-4-carboxylic acid | CHEMBL187527
Type:
Small organic molecule
Emp. Form.:
C15H10BrN3O2
Mol. Mass.:
344.163
SMILES:
OC(=O)c1nnn(c1-c1ccccc1)-c1cccc(Br)c1
Structure:
Search PDB for entries with ligand similarity: