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TargetNAD(P)H dehydrogenase [quinone] 1
LigandBDBM35525
Substrate/Competitorn/a
Meas. Tech.ChEMBL_452277 (CHEMBL901432)
IC50 5±n/a nM
Citation Nolan, KAZhao, HFaulder, PFFrenkel, ADTimson, DJSiegel, DRoss, DBurke, TRStratford, IJBryce, RA Coumarin-based inhibitors of human NAD(P)H:quinone oxidoreductase-1. Identification, structure-activity, off-target effects and in vitro human pancreatic cancer toxicity. J Med Chem50:6316-25 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
NAD(P)H dehydrogenase [quinone] 1
Name:NAD(P)H dehydrogenase [quinone] 1
Synonyms:Azoreductase | DIA4 | DT-diaphorase | Menadione reductase | NAD(P)H:quinone oxidoreductase 1 | NMOR1 | NQO1 | NQO1_HUMAN | 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
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  Blast E-value cutoff:
BDBM35525
n/a
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
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