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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50135850
Substrate
n/a
Meas. Tech.
ChEMBL_31766 (CHEMBL641360)
IC50
5500±n/a nM
Citation
 de la Fuente, JA; Manzanaro, S; Martín, MJ; de Quesada, TG; Reymundo, I; Luengo, SM; Gago, F Synthesis, activity, and molecular modeling studies of novel human aldose reductase inhibitors based on a marine natural product. J Med Chem 46:5208-21 (2003) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
AKR1B1 | ALDR1 | ALDR_HUMAN | ALR2 | AR | Aldo-keto reductase family 1 member B1 (AKR1B1) | Aldose Reductase (ALR2) | Aldose reductase | Aldose reductase (AR)
Type:
Protein
Mol. Mass.:
35855.50
Organism:
Homo sapiens (Human)
Description:
P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0
Residue:
316
Sequence:
MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCALLSCTSHKDYPFHEEF
  
Inhibitor
Name:
BDBM50135850
Synonyms:
2,3,4,5-Tetrabromo-6-(3,4,5-tribromo-2-hydroxy-phenoxy)-phenol | 2,3,4,5-tetrabromo-6-(3,4,5-tribromo-2-hydroxyphenoxy)phenol | CHEMBL357100
Type:
Small organic molecule
Emp. Form.:
C12H3Br7O3
Mol. Mass.:
754.478
SMILES:
Oc1c(Oc2c(O)c(Br)c(Br)c(Br)c2Br)cc(Br)c(Br)c1Br
Structure:
Search PDB for entries with ligand similarity: