Reaction Details Report a problem with these data
Target
Phenylethanolamine N-methyltransferase
Ligand
BDBM50276413
Substrate
n/a
Meas. Tech.
ChEMBL_541073 (CHEMBL1024773)
Ki
50±n/a nM
Citation
 Wu, Q; Caine, JM; Thomson, SA; Slavica, M; Grunewald, GL; McLeish, MJ Time-dependent inactivation of human phenylethanolamine N-methyltransferase by 7-isothiocyanatotetrahydroisoquinoline. Bioorg Med Chem Lett 19:1071-4 (2009) [PubMed]  Article 
Target
Name:
Phenylethanolamine N-methyltransferase
Synonyms:
Noradrenaline N-methyltransferase | PENT | PNMT | PNMT_HUMAN | PNMTase | Phenylethanolamine N-Methyltransferase (PNMT)
Type:
Enzyme
Mol. Mass.:
30852.66
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
282
Sequence:
MSGADRSPNAGAAPDSAPGQAAVASAYQRFEPRAYLRNNYAPPRGDLCNPNGVGPWKLRCLAQTFATGEVSGRTLIDIGSGPTVYQLLSACSHFEDITMTDFLEVNRQELGRWLQEEPGAFNWSMYSQHACLIEGKGECWQDKERQLRARVKRVLPIDVHQPQPLGAGSPAPLPADALVSAFCLEAVSPDLASFQRALDHITTLLRPGGHLLLIGALEESWYLAGEARLTVVPVSEEEVREALVRSGYKVRDLRTYIMPAHLQTGVDDVKGVFFAWAQKVGL
  
Inhibitor
Name:
BDBM50276413
Synonyms:
7-isothiocyanatotetrahydroisoquinoline | CHEMBL459366
Type:
Small organic molecule
Emp. Form.:
C10H10N2S
Mol. Mass.:
190.265
SMILES:
S=C=Nc1ccc2CCNCc2c1
Structure:
Search PDB for entries with ligand similarity: