Reaction Details Report a problem with these data
Target
Nicotinamide N-methyltransferase
Ligand
BDBM50530719
Substrate
n/a
Meas. Tech.
ChEMBL_1913750 (CHEMBL4416333)
Ki
58±n/a nM
Citation
 Policarpo, RL; Decultot, L; May, E; Kuzmi?, P; Carlson, S; Huang, D; Chu, V; Wright, BA; Dhakshinamoorthy, S; Kannt, A; Rani, S; Dittakavi, S; Panarese, JD; Gaudet, R; Shair, MD High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide  J Med Chem 62:9837-9873 (2019) [PubMed]  Article 
Target
Name:
Nicotinamide N-methyltransferase
Synonyms:
NNMT | NNMT_HUMAN | Nicotinamide N-methyltransferase | Nicotinamide N-methyltransferase (NNMT)
Type:
Protein
Mol. Mass.:
29571.16
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
264
Sequence:
MESGFTSKDTYLSHFNPRDYLEKYYKFGSRHSAESQILKHLLKNLFKIFCLDGVKGDLLIDIGSGPTIYQLLSACESFKEIVVTDYSDQNLQELEKWLKKEPEAFDWSPVVTYVCDLEGNRVKGPEKEEKLRQAVKQVLKCDVTQSQPLGAVPLPPADCVLSTLCLDAACPDLPTYCRALRNLGSLLKPGGFLVIMDALKSSYYMIGEQKFSSLPLGREAVEAAVKEAGYTIEWFEVISQSYSSTMANNEGLFSLVARKLSRPL
  
Inhibitor
Name:
BDBM50530719
Synonyms:
CHEMBL4554139
Type:
Small organic molecule
Emp. Form.:
C23H27N7O4
Mol. Mass.:
465.505
SMILES:
NCCC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: