Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50484945
Substrate
n/a
Meas. Tech.
ChEMBL_811551 (CHEMBL2013956)
IC50
6510±n/a nM
Citation
 Ramunno, A; Cosconati, S; Sartini, S; Maglio, V; Angiuoli, S; La Pietra, V; Di Maro, S; Giustiniano, M; La Motta, C; Da Settimo, F; Marinelli, L; Novellino, E Progresses in the pursuit of aldose reductase inhibitors: the structure-based lead optimization step. Eur J Med Chem 51:216-26 (2012) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
ALDR_RAT | Akr1b1 | Akr1b4 | Aldose reductase | Aldr1
Type:
PROTEIN
Mol. Mass.:
35797.87
Organism:
Rattus norvegicus
Description:
ChEMBL_1512484
Residue:
316
Sequence:
MASHLELNNGTKMPTLGLGTWKSPPGQVTEAVKVAIDMGYRHIDCAQVYQNEKEVGVALQEKLKEQVVKRQDLFIVSKLWCTFHDQSMVKGACQKTLSDLQLDYLDLYLIHWPTGFKPGPDYFPLDASGNVIPSDTDFVDTWTAMEQLVDEGLVKAIGVSNFNPLQIERILNKPGLKYKPAVNQIECHPYLTQEKLIEYCHCKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKEIAAKYNKTTAQVLIRFPIQRNLVVIPKSVTPARIAENFKVFDFELSNEDMATLLSYNRNWRVCALMSCAKHKDYPFHAEV
  
Inhibitor
Name:
BDBM50484945
Synonyms:
CHEMBL2010986
Type:
Small organic molecule
Emp. Form.:
C19H17NO4S
Mol. Mass.:
355.408
SMILES:
OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
Structure:
Search PDB for entries with ligand similarity: