Reaction Details Report a problem with these data
Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM381843
Substrate
n/a
Meas. Tech.
BEAS-2B NQO1 MTT Assay
EC50
55±n/a nM
Citation
 Kerns, JK; Callahan, JF; Yan, H; Heightman, TD; Boehm, JC; Woolford, AJ NRF2 regulators US Patent  US10272095 Publication Date 4/30/2019 
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:
BDBM381843
Synonyms:
3-(1,4-Dimethyl-1H-1,2,3-benzotriazol-5-yl)-3-{1-[(4-ethylcyclohexyl)methyl]-2-oxo-1H,2H,3H,3aH,4H,8bH-indeno[1,2-b]pyrrol-7-yl}propanoic Acid | US10272095, Example 2
Type:
Small organic molecule
Emp. Form.:
C31H38N4O3
Mol. Mass.:
514.6584
SMILES:
CCC1CCC(CN2C3C(CC2=O)Cc2ccc(cc32)C(CC(O)=O)c2ccc3n(C)nnc3c2C)CC1 |(-7.99,-3.7,;-7.22,-2.36,;-5.68,-2.36,;-4.91,-1.03,;-3.37,-1.03,;-2.6,-2.36,;-1.06,-2.36,;-.03,-3.51,;1.51,-3.35,;2.13,-4.75,;.99,-5.78,;-.35,-5.01,;-1.75,-5.64,;3.66,-4.59,;3.98,-3.09,;5.32,-2.32,;5.32,-.78,;3.98,-.01,;2.65,-.78,;2.65,-2.32,;3.98,1.53,;5.32,2.3,;6.65,1.53,;6.65,-.01,;7.99,2.3,;2.65,2.3,;2.65,3.84,;1.32,4.61,;-.02,3.84,;-1.48,4.32,;-1.96,5.78,;-2.39,3.07,;-1.48,1.83,;-.02,2.3,;1.32,1.53,;1.32,-.01,;-3.37,-3.7,;-4.91,-3.7,)|
Structure:
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