Reaction Details Report a problem with these data
Target
Ribosyldihydronicotinamide dehydrogenase [quinone]
Ligand
BDBM29225
Substrate
BDBM29211
Meas. Tech.
QR2 Assay and IC50 Value Determination
pH
7.5±n/a
Temperature
296.15±n/a K
IC50
7000±1100 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
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:
BDBM29225
Synonyms:
casimiroin analogue, 1n
Type:
Small organic molecule
Emp. Form.:
C14H17NO4
Mol. Mass.:
263.2891
SMILES:
COc1cc2c(C)cc(=O)n(C)c2c(OC)c1OC