Reaction Details Report a problem with these data
Target
Phenylethanolamine N-methyltransferase
Ligand
BDBM50079900
Substrate
n/a
Meas. Tech.
ChEMBL_152400 (CHEMBL764116)
Ki
2000±n/a nM
Citation
 Grunewald, GL; Caldwell, TM; Li, Q; Criscione, KR Synthesis and evaluation of 3-trifluoromethyl-7-substituted-1,2,3, 4-tetrahydroisoquinolines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor. J Med Chem 42:3315-23 (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:
BDBM50079900
Synonyms:
7-Nitro-3-trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline | 7-nitro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline | CHEMBL112351
Type:
Small organic molecule
Emp. Form.:
C10H9F3N2O2
Mol. Mass.:
246.1859
SMILES:
[O-][N+](=O)c1ccc2CC(NCc2c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: