Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member A1
Ligand
BDBM50330615
Substrate
n/a
Meas. Tech.
ChEMBL_685035 (CHEMBL1286651)
IC50
323±n/a nM
Citation
 Alexiou, P; Demopoulos, VJ A diverse series of substituted benzenesulfonamides as aldose reductase inhibitors with antioxidant activity: design, synthesis, and in vitro activity. J Med Chem 53:7756-66 (2010) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member A1
Synonyms:
AK1A1_RAT | Akr1a1 | Aldehyde reductase | Alr
Type:
PROTEIN
Mol. Mass.:
36509.97
Organism:
Rattus norvegicus
Description:
ChEMBL_31321
Residue:
325
Sequence:
MTASSVLLHTGQKMPLIGLGTWKSEPGQVKAAIKYALSVGYRHIDCASVYGNETEIGEALKESVGAGKAVPREELFVTSKLWNTKHHPEDVEPAVRKTLADLQLEYLDLYLMHWPYAFERGDNPFPKNADGTVKYDSTHYKETWKALEALVAKGLVKALGLSNFSSRQIDDVLSVASVRPAVLQVECHPYLAQNELIAHCQARGLEVTAYSPLGSSDRAWRHPDEPVLLEEPVVLALAEKHGRSPAQILLRWQVQRKVICIPKSITPSRILQNIQVFDFTFSPEEMKQLDALNKNWRYIVPMITVDGKRVPRDAGHPLYPFNDPY
  
Inhibitor
Name:
BDBM50330615
Synonyms:
4-Amino-N-(4-bromo-2-fluorobenzyl)-N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide | CHEMBL1277476
Type:
Small organic molecule
Emp. Form.:
C19H14BrF3N2O3S
Mol. Mass.:
487.29
SMILES:
Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1F)c1cc(F)c(O)c(F)c1
Structure:
Search PDB for entries with ligand similarity: