Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM35537
Substrate
BDBM24778
Meas. Tech.
Inhibition of NQO1 (With 2 uM BSA)
pH
7.5±n/a
IC50
0.42±n/a nM
Comments
extracted
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 
Target
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:
MVGRRALIVLAHSERTSFNYAMKEAAAAALKKKGWEVVESDLYAMNFNPIISRKDITGKLKDPANFQYPAESVLAYKEGHLSPDIVAEQKKLEAADLVIFQFPLQWFGVPAILKGWFERVFIGEFAYTYAAMYDKGPFRSKKAVLSITTGGSGSMYSLQGIHGDMNVILWPIQSGILHFCGFQVLEPQLTYSIGHTPADARIQILEGWKKRLENIWDETPLYFAPSSLFDLNFQAGFLMKKEVQDEEKNKKFGLSVGHHLGKSIPTDNQIKARK
  
Inhibitor
Name:
BDBM35537
Synonyms:
symmetric dicoumarol analogue, 13
Type:
Small organic molecule
Emp. Form.:
C23H20O6
Mol. Mass.:
392.4013
SMILES:
Cc1ccc2c(O)c(Cc3c(O)c4ccc(C)c(C)c4oc3=O)c(=O)oc2c1C
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM24778
Synonyms:
2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-methyl-1,4-naphthoquinone, 5 | CHEMBL590 | Menadione | Menadione (5d) | Menadione (Vitamin K3) | Menadione, 9 | Vitamin K3 | cid_4055
Type:
Small organic molecule
Emp. Form.:
C11H8O2
Mol. Mass.:
172.18
SMILES:
CC1=CC(=O)c2ccccc2C1=O |t:1|
Structure:
Search PDB for entries with ligand similarity: