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Target
Phenylethanolamine N-methyltransferase
Ligand
BDBM13030
Substrate
BDBM13015
Meas. Tech.
Radiochemical Assay of PNMT Inhibitors
pH
8±n/a
Temperature
310.15±n/a K
Ki
1400±100 nM
Citation
 Grunewald, GL; Seim, MR; Regier, RC; Martin, JL; Gee, CL; Drinkwater, N; Criscione, KR Comparison of the binding of 3-fluoromethyl-7-sulfonyl-1,2,3,4-tetrahydroisoquinolines with their isosteric sulfonamides to the active site of phenylethanolamine N-methyltransferase. J Med Chem 49:5424-33 (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:
BDBM13030
Synonyms:
7-sulfonamide-THIQ 20 | CHEMBL177861 | N-ethyl-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Type:
Small organic molecule
Emp. Form.:
C12H17FN2O2S
Mol. Mass.:
272.339
SMILES:
CCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM13015
Synonyms:
2-amino-1-phenylethan-1-ol | phenylethanolamine
Type:
Small organic molecule
Emp. Form.:
C8H11NO
Mol. Mass.:
137.179
SMILES:
NCC(O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: