Reaction Details Report a problem with these data
Target
Phenylethanolamine N-methyltransferase
Ligand
BDBM50186668
Substrate
n/a
Meas. Tech.
ChEMBL_353147 (CHEMBL866947)
Ki
900±n/a nM
Citation
 Grunewald, GL; Seim, MR; Lu, J; Makboul, M; Criscione, KR Application of the Goldilocks effect to the design of potent and selective inhibitors of phenylethanolamine N-methyltransferase: balancing pKa and steric effects in the optimization of 3-methyl-1,2,3,4-tetrahydroisoquinoline inhibitors by beta-fluorination. J Med Chem 49:2939-52 (2006) [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:
BDBM50186668
Synonyms:
(+/-)-7-(N-4-chlorophenylaminosulfonyl)-3-difluoromethyl-1,2,3,4-tetrahydroisoquinoline | CHEMBL207516
Type:
Small organic molecule
Emp. Form.:
C16H15ClF2N2O2S
Mol. Mass.:
372.817
SMILES:
FC(F)C1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
Structure:
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