Reaction Details Report a problem with these data
Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM381910
Substrate
n/a
Meas. Tech.
BEAS-2B NQO1 MTT Assay
EC50
5.5±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:
BDBM381910
Synonyms:
US10272095, Example 72 | US10272095, Example 85 | rel-(S)-3-(1,4-Dimethyl-1H- benzo[d][1,2,3]triazol-5-yl)- 3-(rel-(S)-3-((R)-2-ethyl-2,3- dihydropyrido[3,4- f][1,4]oxazepin-4(5H)-yl)- 2,3-dihydro-1H-inden-5-yl)- 2,2-dimethylpropanoic acid
Type:
Small organic molecule
Emp. Form.:
C32H37N5O3
Mol. Mass.:
539.6679
SMILES:
CC[C@@H]1CN(Cc2cnccc2O1)[C@H]1CCc2ccc(cc12)[C@@H](c1ccc2n(C)nnc2c1C)C(C)(C)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: