Reaction Details Report a problem with these data
Target
Ribosyldihydronicotinamide dehydrogenase [quinone]
Ligand
BDBM50131688
Substrate
n/a
Meas. Tech.
ChEMBL_982298 (CHEMBL2429516)
IC50
5100±n/a nM
Citation
 St John, SE; Jensen, KC; Kang, S; Chen, Y; Calamini, B; Mesecar, AD; Lipton, MA Design, synthesis, biological and structural evaluation of functionalized resveratrol analogues as inhibitors of quinone reductase 2. Bioorg Med Chem 21:6022-37 (2013) [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:
BDBM50131688
Synonyms:
(E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-4'-hydroxyl-trans-stilbene | 4'-hydroxy-3,5-dimethoxy stilbene | 4-(3,5-dimethoxystyryl)phenol | 4-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol | 4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol | CHEMBL83527 | E 4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol | Pterostilben | Pterostilbene
Type:
Small organic molecule
Emp. Form.:
C16H16O3
Mol. Mass.:
256.2964
SMILES:
COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1
Structure:
Search PDB for entries with ligand similarity: