Reaction Details Report a problem with these data
Target
Ribosyldihydronicotinamide dehydrogenase [quinone]
Ligand
BDBM50112208
Substrate
n/a
Meas. Tech.
ChEMBL_744409 (CHEMBL1772363)
Ki
0.300000±n/a nM
Citation
 Leclerc, V; Ettaoussi, M; Rami, M; Farce, A; Boutin, JA; Delagrange, P; Caignard, DH; Renard, P; Berthelot, P; Yous, S Design and synthesis of naphthalenic derivatives as new ligands at the melatonin binding site MT3. Eur J Med Chem 46:1622-9 (2011) [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:
BDBM50112208
Synonyms:
CHEMBL300728 | N-(2-(2-iodo-5-methoxy-1-methyl-4-nitro-1H-indol-3-yl)ethyl)acetamide | N-[2-(2-Iodo-5-methoxy-1-methyl-4-nitro-1H-indol-3-yl)-ethyl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C14H16IN3O4
Mol. Mass.:
417.199
SMILES:
COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: