Reaction Details Report a problem with these data
Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM381890
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:
BDBM381890
Synonyms:
3-(3-(2,2-dimethyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)-5-(2-ethyl-2H-tetrazol-5-yl)-2,2-dimethylpentanoic Acid, Trifluoroacetic Acid Salt | US10272095, Example 64
Type:
Small organic molecule
Emp. Form.:
C30H39N5O3
Mol. Mass.:
517.6624
SMILES:
CCn1nnc(CCC(c2ccc3CCC(N4Cc5ccccc5OC(C)(C)C4)c3c2)C(C)(C)C(O)=O)n1
Structure:
Search PDB for entries with ligand similarity: