Reaction Details Report a problem with these data
Target
Ribosyldihydronicotinamide dehydrogenase [quinone]
Ligand
BDBM29611
Substrate
BDBM29211
Meas. Tech.
QR2 Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
1100±200 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:
BDBM29611
Synonyms:
2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo
Type:
Small organic molecule
Emp. Form.:
C13H15IN2O2
Mol. Mass.:
358.1749
SMILES:
COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1