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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50010446
Substrate
n/a
Meas. Tech.
ChEBML_218061
Ki
1500±n/a nM
Citation
 Deck, LM; Vander Jagt, DL; Royer, RE Gossypol and derivatives: a new class of aldose reductase inhibitors. J Med Chem 34:3301-5 (1991) [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:
BDBM50010446
Synonyms:
1,7,1',7'-Tetrahydroxy-5,5'-diisopropyl-6,6'-dimethoxy-3,3'-dimethyl-[2,2']binaphthalenyl-8,8'-dicarbaldehyde | CHEMBL112743
Type:
Small organic molecule
Emp. Form.:
C32H34O8
Mol. Mass.:
546.6076
SMILES:
COc1c(O)c(C=O)c2c(O)c(c(C)cc2c1C(C)C)-c1c(C)cc2c(C(C)C)c(OC)c(O)c(C=O)c2c1O |(5.52,-15.79,;4.18,-15.03,;2.85,-15.81,;2.87,-17.36,;4.21,-18.11,;1.54,-18.13,;1.55,-19.67,;.22,-20.45,;.21,-17.37,;-1.11,-18.15,;-1.1,-19.69,;-2.45,-17.39,;-2.46,-15.86,;-3.81,-15.1,;-1.14,-15.08,;.21,-15.84,;1.52,-15.06,;1.51,-13.52,;2.84,-12.74,;.17,-12.76,;-3.78,-18.16,;-3.77,-19.71,;-2.43,-20.48,;-5.1,-20.49,;-6.44,-19.72,;-7.77,-20.5,;-7.77,-22.04,;-9.1,-22.81,;-6.43,-22.81,;-9.1,-19.73,;-10.44,-20.5,;-11.96,-19.65,;-9.1,-18.18,;-10.44,-17.41,;-7.77,-17.41,;-7.78,-15.87,;-6.45,-15.1,;-6.44,-18.18,;-5.11,-17.4,;-5.12,-15.86,)|
Structure:
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