Reaction Details  Report a problem with these data
Target
Nicotinamide N-methyltransferase
Ligand
BDBM50588068
Substrate
n/a
Meas. Tech.
ChEMBL_2186336 (CHEMBL5098418)
IC50
1180±n/a nM
Citation
 Gao, Y; van Haren, MJ; Buijs, N; Innocenti, P; Zhang, Y; Sartini, D; Campagna, R; Emanuelli, M; Parsons, RB; Jespers, W; Gutiérrez-de-Terán, H; van Westen, GJP; Martin, NI Potent Inhibition of Nicotinamide  J Med Chem 64:12938-12963 (2021) [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:
BDBM50588068
Synonyms:
CHEMBL5189085
Type:
Small organic molecule
Emp. Form.:
C24H31N7O5
Mol. Mass.:
497.5468
SMILES:
Cc1ccccc1\C=C\CN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: