Reaction Details Report a problem with these data
Target
Phenylethanolamine N-methyltransferase
Ligand
BDBM50077544
Substrate
n/a
Meas. Tech.
ChEMBL_152393 (CHEMBL765516)
Ki
250±n/a nM
Citation
 Grunewald, GL; Dahanukar, VH; Teoh, B; Criscione, KR 3,7-Disubstituted-1,2,3,4-tetrahydroisoquinolines display remarkable potency and selectivity as inhibitors of phenylethanolamine N-methyltransferase versus the alpha2-adrenoceptor. J Med Chem 42:1982-90 (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:
BDBM50077544
Synonyms:
(S)-3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoline | (S)-3-methyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | CHEMBL57966
Type:
Small organic molecule
Emp. Form.:
C10H12N2O2
Mol. Mass.:
192.2145
SMILES:
C[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
Structure:
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