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Target
Phenylethanolamine N-methyltransferase
Ligand
BDBM13035
Substrate
BDBM13015
Meas. Tech.
Radiochemical Assay of PNMT Inhibitors
pH
8±n/a
Temperature
310.15±n/a K
Ki
67000±4000 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:
BDBM13035
Synonyms:
((+/-)-3-Fluoromethyl-7-(4,4,4-trifluorobutylsulfonyl)-1,2,3,4-tetrahydroisoquinoline | 3-(fluoromethyl)-7-[(4,4,4-trifluorobutane)sulfonyl]-1,2,3,4-tetrahydroisoquinoline | 7-sulfonyl-THIQ 25
Type:
Small organic molecule
Emp. Form.:
C14H17F4NO2S
Mol. Mass.:
339.349
SMILES:
FCC1Cc2ccc(cc2CN1)S(=O)(=O)CCCC(F)(F)F
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: