Reaction Details
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Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM35552
Substrate
BDBM24778
Meas. Tech.
Inhibition of NQO1 (With 2 uM BSA)
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
192±41 nM
Citation
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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:
BDBM35552
Synonyms:
4-hydroxy-2H-chromen-2-one core, 29
Type:
Small organic molecule
Emp. Form.:
C20H20O3
Mol. Mass.:
308.371
SMILES:
Cc1ccc(Cc2c(O)c3cc(C)c(C)cc3oc2=O)cc1C
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|