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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50480763
Substrate
n/a
Meas. Tech.
ChEMBL_583224 (CHEMBL1055023)
IC50
107300±n/a nM
Citation
 Cosconati, S; Marinelli, L; La Motta, C; Sartini, S; Da Settimo, F; Olson, AJ; Novellino, E Pursuing aldose reductase inhibitors through in situ cross-docking and similarity-based virtual screening. J Med Chem 52:5578-81 (2009) [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:
BDBM50480763
Synonyms:
CHEMBL556125
Type:
Small organic molecule
Emp. Form.:
C15H14N2O6S
Mol. Mass.:
350.346
SMILES:
OC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NS(=O)(=O)c1ccccc1
Structure:
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