Reaction Details Report a problem with these data
Target
Ribosyldihydronicotinamide dehydrogenase [quinone]
Ligand
BDBM29213
Substrate
BDBM29211
Meas. Tech.
QR2 Assay and IC50 Value Determination
pH
7.5±n/a
Temperature
296.15±n/a K
IC50
6200±800 nM
Citation
 Maiti, A; Reddy, PV; Sturdy, M; Marler, L; Pegan, SD; Mesecar, AD; Pezzuto, JM; Cushman, M Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem 52:1873-84 (2009) [PubMed]  Article  BDB Entry
Target
Name:
Ribosyldihydronicotinamide dehydrogenase [quinone]
Synonyms:
Metallothionein-3 | 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:
BDBM29213
Synonyms:
casimiroin analogue, 1b
Type:
Small organic molecule
Emp. Form.:
C12H11NO3
Mol. Mass.:
217.2206
SMILES:
Cc1cc(=O)n(C)c2c3OCOc3ccc12
Structure:
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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:
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