Reaction Details Report a problem with these data
Target
Phenylethanolamine N-methyltransferase
Ligand
BDBM50163105
Substrate
n/a
Meas. Tech.
ChEMBL_303574 (CHEMBL828974)
Ki
750±n/a nM
Citation
 Grunewald, GL; Romero, FA; Criscione, KR Nanomolar inhibitors of CNS epinephrine biosynthesis: (R)-(+)-3-fluoromethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinolines as potent and highly selective inhibitors of phenylethanolamine N-methyltransferase1. J Med Chem 48:1806-12 (2005) [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:
BDBM50163105
Synonyms:
(R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid ethylamide | CHEMBL175094
Type:
Small organic molecule
Emp. Form.:
C12H17FN2O2S
Mol. Mass.:
272.339
SMILES:
CCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1
Structure:
Search PDB for entries with ligand similarity: