Reaction Details Report a problem with these data
Target
Ribosyldihydronicotinamide dehydrogenase [quinone]
Ligand
BDBM50332191
Substrate
n/a
Meas. Tech.
ChEMBL_687953 (CHEMBL1291625)
IC50
5000±n/a nM
Citation
 Nolan, KA; Caraher, MC; Humphries, MP; Bettley, HA; Bryce, RA; Stratford, IJ In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett 20:7331-6 (2010) [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:
BDBM50332191
Synonyms:
CHEMBL1287980 | N,N-dimethyl-4-(1-methyl-6-nitro-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]anilineTrifluoromethanesulfonic acid | NSC-720622 | cid_404404
Type:
Small organic molecule
Emp. Form.:
C26H23N4O2
Mol. Mass.:
423.4859
SMILES:
CN(C)c1ccc(\C=c2/c3cc(ccc3n3[n+](C)c(cc23)-c2ccccc2)[N+]([O-])=O)cc1
Structure:
Search PDB for entries with ligand similarity: