Reaction Details Report a problem with these data
Target
Ribosyldihydronicotinamide dehydrogenase [quinone]
Ligand
BDBM9019
Substrate
BDBM29211
Meas. Tech.
QR2 Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
11300±2100 nM
Citation
 Calamini, B; Santarsiero, BD; Boutin, JA; Mesecar, AD Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem J 413:81-91 (2008) [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:
BDBM9019
Synonyms:
CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
Type:
Small organic molecule
Emp. Form.:
C13H16N2O2
Mol. Mass.:
232.2783
SMILES:
COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM29211
Synonyms:
N-methyldihydronicotinamide | NMeH
Type:
Small organic molecule
Emp. Form.:
C18H16N5S
Mol. Mass.:
334.418
SMILES:
Cc1nc(sc1C)-[n+]1nc(nn1-c1ccccc1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: