Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetQuinone reductase 1)
LigandBDBM35525
Substrate/CompetitorBDBM24778
Meas. Tech.Inhibition of NQO1 (With 2 uM BSA)
pH7.5±n/a
IC50 2.6±n/a nM
Commentsextracted
Citation Nolan KADoncaster JRDunstan MSScott KAFrenkel ADSiegel DRoss DBarnes JLevy CLeys DWhitehead RCStratford IJBryce RA Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1). J Med Chem 52:7142-56 (2009) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Quinone reductase 1)
Name:Quinone reductase 1)
Synonyms:Azoreductase | DT-diaphorase | Menadione reductase | NAD(P)H dehydrogenase [quinone] 1 | NAD(P)H:quinone oxidoreductase 1 | Phylloquinone reductase | QR1 | Quinone Reductase 1 | Quinone reductase 1)
Type:Homodimer
Mol. Mass.:30874.82
Organism:Homo sapiens (Human)
Description:n/a
Residue:274
Sequence:
MVGRRALIVLAHSERTSFNYAMKEAAAAALKKKGWEVVESDLYAMNFNPIISRKDITGKL
KDPANFQYPAESVLAYKEGHLSPDIVAEQKKLEAADLVIFQFPLQWFGVPAILKGWFERV
FIGEFAYTYAAMYDKGPFRSKKAVLSITTGGSGSMYSLQGIHGDMNVILWPIQSGILHFC
GFQVLEPQLTYSIGHTPADARIQILEGWKKRLENIWDETPLYFAPSSLFDLNFQAGFLMK
KEVQDEEKNKKFGLSVGHHLGKSIPTDNQIKARK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM35525
BDBM24778
NameBDBM35525
Synonyms:3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-methylenebis(4-hydroxycoumarin) | 3,3''''-methylenebis[4-hydroxycoumarin | 4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-2H-chromen-2-one | Bishydroxycoumarin | CHEMBL1466 | DICUMAROL | dicoumarol | symmetric dicoumarol analogue, 1
TypeSmall organic molecule
Emp. Form.C19H12O6
Mol. Mass.336.295
SMILESOc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: