Reaction Details Report a problem with these data
Target
Ribosyldihydronicotinamide dehydrogenase [quinone]
Ligand
BDBM50112206
Substrate
n/a
Meas. Tech.
ChEMBL_104942 (CHEMBL713109)
Ki
1.1±n/a nM
Citation
 Leclerc, V; Yous, S; Delagrange, P; Boutin, JA; Renard, P; Lesieur, D Synthesis of nitroindole derivatives with high affinity and selectivity for melatoninergic binding sites MT(3). J Med Chem 45:1853-9 (2002) [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:
BDBM50112206
Synonyms:
CHEMBL300195 | N-(2-(5-methoxy-4-nitro-1H-indol-3-yl)ethyl)acetamide | N-[2-(5-Methoxy-4-nitro-1H-indol-3-yl)-ethyl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C13H15N3O4
Mol. Mass.:
277.2759
SMILES:
COc1ccc2[nH]cc(CCNC(C)=O)c2c1[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: