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Target
Nicotinamide N-methyltransferase
Ligand
BDBM50566775
Substrate
n/a
Meas. Tech.
ChEMBL_2101683 (CHEMBL4810079)
IC50
5.8±n/a nM
Citation
 Hayashi, K; Uehara, S; Yamamoto, S; Cary, DR; Nishikawa, J; Ueda, T; Ozasa, H; Mihara, K; Yoshimura, N; Kawai, T; Ono, T; Yamamoto, S; Fumoto, M; Mikamiyama, H Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell. ACS Med Chem Lett 12:1093-1101 (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:
BDBM50566775
Synonyms:
CHEMBL4856854
Type:
Small organic molecule
Emp. Form.:
C57H72F3N11O10S
Mol. Mass.:
1160.309
SMILES:
CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O)C(F)(F)F |r|
Structure:
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