Reaction Details Report a problem with these data
Target
Ribosyldihydronicotinamide dehydrogenase [quinone]
Ligand
BDBM50515996
Substrate
n/a
Meas. Tech.
ChEMBL_1863015 (CHEMBL4363871)
IC50
595±n/a nM
Citation
 Hussein, B; Ikhmais, B; Kadirvel, M; Magwaza, RN; Halbert, G; Bryce, RA; Stratford, IJ; Freeman, S Discovery of potent 4-aminoquinoline hydrazone inhibitors of NRH:quinoneoxidoreductase-2 (NQO2). Eur J Med Chem 182:0 (2019) [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:
BDBM50515996
Synonyms:
CHEMBL4468623
Type:
Small organic molecule
Emp. Form.:
C24H21N3O3
Mol. Mass.:
399.4418
SMILES:
COc1ccc2nc(cc(N\N=C\c3cccc(OC)c3O)c2c1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: