Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetRibosyldihydronicotinamide dehydrogenase [quinone]
LigandBDBM9019
Substrate/CompetitorBDBM29211
Meas. Tech.QR2 Assay and IC50 Value Determination
pH7.5±n/a
Temperature296.15±n/a K
IC50 11300±2100 nM
Citation Maiti, AReddy, PVSturdy, MMarler, LPegan, SDMesecar, ADPezzuto, JMCushman, M Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem52:1873-84 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Ribosyldihydronicotinamide dehydrogenase [quinone]
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:
MAGKKVLIVYAHQEPKSFNGSLKNVAVDELSRQGCTVTVSDLYAMNLEPRATDKDITGTL
SNPEVFNYGVETHEAYKQRSLASDITDEQKKVREADLVIFQFPLYWFSVPAILKGWMDRV
LCQGFAFDIPGFYDSGLLQGKLALLSVTTGGTAEMYTKTGVNGDSRYFLWPLQHGTLHFC
GFKVLAPQISFAPEIASEEERKGMVAAWSQRLQTIWKEEPIPCTAHWHFGQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM9019
BDBM29211
NameBDBM9019
Synonyms:CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
TypeSmall organic molecule
Emp. Form.C13H16N2O2
Mol. Mass.232.2783
SMILESCOc1ccc2[nH]cc(CCNC(C)=O)c2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: