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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50010443
Substrate
n/a
Meas. Tech.
ChEBML_218061
Ki
9700.0±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:
BDBM50010443
Synonyms:
1,1'-Dihydroxy-5,5'-diisopropyl-6,7,6',7'-tetramethoxy-3,3'-dimethyl-[2,2']binaphthalenyl-8,8'-dicarbaldehyde | CHEMBL325738
Type:
Small organic molecule
Emp. Form.:
C34H38O8
Mol. Mass.:
574.6607
SMILES:
COc1c(OC)c(C(C)C)c2cc(C)c(c(O)c2c1C=O)-c1c(C)cc2c(C(C)C)c(OC)c(OC)c(C=O)c2c1O |(1.57,-11.37,;2.92,-10.58,;4.26,-11.35,;4.26,-12.91,;2.92,-13.69,;1.57,-12.91,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;6.92,-11.35,;5.59,-10.58,;5.59,-9.03,;4.26,-8.26,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;16.19,-13.65,;16.19,-15.21,;17.54,-15.98,;14.86,-15.98,;17.54,-12.91,;18.85,-13.69,;20.21,-12.91,;17.54,-11.35,;18.85,-10.58,;20.21,-11.35,;16.19,-10.58,;16.18,-9.03,;17.51,-8.26,;14.86,-11.35,;13.55,-10.58,;13.55,-9.03,)|
Structure:
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