Reaction Details Report a problem with these data
Target
Phenylethanolamine N-methyltransferase
Ligand
BDBM50072986
Substrate
n/a
Meas. Tech.
ChEMBL_153318 (CHEMBL760054)
Ki
2.01E+3±n/a nM
Citation
 Grunewald, GL; Caldwell, TM; Dahanukar, VH; Jalluri, RK; Criscione, KR Comparative molecular field analysis (CoMFA) models of phenylethanolamine N-methyltransferase (PNMT) and the alpha2-adrenoceptor: the development of new, highly selective inhibitors of PNMT. Bioorg Med Chem Lett 9:481-6 (1999) [PubMed]  Article 
Target
Name:
Phenylethanolamine N-methyltransferase
Synonyms:
Noradrenaline N-methyltransferase | PNMT | PNMT_BOVIN | PNMTase
Type:
Enzyme
Mol. Mass.:
30916.97
Organism:
Bos taurus (bovine)
Description:
n/a
Residue:
283
Sequence:
MSGTDRSQAAGAVPDSDPGLAAVSSAYQRFEPRAYLRNNYAPPRGDLSCPDGVGPWKLRCLAQTFATGEVSGRTLIDIGSGPTIYQLLSACAHFEDITMTDFLEVNRQELRLWLREEPGAFDWSVYSQHVCLIEGKGESWQEKECQLRARVKRILPIDVHRPQPLGAGGLAPLPADALVSAFCLEAVSPDLASFQRALDHITTLLRPGGHLLLIGALEESWYLAGEARLAVVPVREEEVREALVRTATRCGICARTPMPAHLQTGVDDVKGIFFTRAQKKVGV
  
Inhibitor
Name:
BDBM50072986
Synonyms:
7-Methylsulfanyl-1,2,3,4-tetrahydro-isoquinoline | CHEMBL28329
Type:
Small organic molecule
Emp. Form.:
C10H13NS
Mol. Mass.:
179.282
SMILES:
CSc1ccc2CCNCc2c1
Structure:
Search PDB for entries with ligand similarity: