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Target
Phenylethanolamine N-methyltransferase
Ligand
BDBM13028
Substrate
n/a
Meas. Tech.
ChEMBL_303718 (CHEMBL829053)
Ki
220±n/a nM
Citation
 Romero, FA; Vodonick, SM; Criscione, KR; McLeish, MJ; Grunewald, GL Inhibitors of phenylethanolamine N-methyltransferase that are predicted to penetrate the blood-brain barrier: design, synthesis, and evaluation of 3-fluoromethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinolines that possess low affinity toward the alpha2-adrenoceptor. J Med Chem 47:4483-93 (2004) [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:
BDBM13028
Synonyms:
3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | 7-sulfonamide-THIQ 18 | CHEMBL177621
Type:
Small organic molecule
Emp. Form.:
C13H16F4N2O2S
Mol. Mass.:
340.337
SMILES:
FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCC(F)(F)F
Structure:
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