Reaction Details Report a problem with these data
Target
Ribosyldihydronicotinamide dehydrogenase [quinone]
Ligand
BDBM50461059
Substrate
n/a
Meas. Tech.
ChEMBL_1770604 (CHEMBL4222716)
IC50
1111±n/a nM
Citation
 Alnabulsi, S; Hussein, B; Santina, E; Alsalahat, I; Kadirvel, M; Magwaza, RN; Bryce, RA; Schwalbe, CH; Baldwin, AG; Russo, I; Stratford, IJ; Freeman, S Evaluation of analogues of furan-amidines as inhibitors of NQO2. Bioorg Med Chem Lett 28:1292-1297 (2018) [PubMed]  Article 
Target
Name:
Ribosyldihydronicotinamide dehydrogenase [quinone]
Synonyms:
Metallothionein-3 | NMOR2 | NQO2 | NQO2_HUMAN | NRH dehydrogenase [quinone] 2 | NRH:quinone oxidoreductase 2 | QR2 | Quinone reductase 2 | Quinone reductase 2 (NQO2) | Ribosyldihydronicotinamide dehydrogenase [quinone]
Type:
Protein
Mol. Mass.:
25917.25
Organism:
Homo sapiens (Human)
Description:
P16083
Residue:
231
Sequence:
MAGKKVLIVYAHQEPKSFNGSLKNVAVDELSRQGCTVTVSDLYAMNLEPRATDKDITGTLSNPEVFNYGVETHEAYKQRSLASDITDEQKKVREADLVIFQFPLYWFSVPAILKGWMDRVLCQGFAFDIPGFYDSGLLQGKLALLSVTTGGTAEMYTKTGVNGDSRYFLWPLQHGTLHFCGFKVLAPQISFAPEIASEEERKGMVAAWSQRLQTIWKEEPIPCTAHWHFGQ
  
Inhibitor
Name:
BDBM50461059
Synonyms:
CHEMBL4226437
Type:
Small organic molecule
Emp. Form.:
C18H18N4O2
Mol. Mass.:
322.3611
SMILES:
CC(O)=O.NC(=N)c1ccc(cc1)-c1nc(c[nH]1)-c1ccccc1
Structure:
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