Reaction Details Report a problem with these data
Target
Phenylethanolamine N-methyltransferase
Ligand
BDBM13020
Substrate
BDBM13015
Meas. Tech.
Radiochemical Assay of PNMT Inhibitors
pH
8±n/a
Temperature
310.15±n/a K
Ki
9000±700 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
More Info.:
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:
BDBM13020
Synonyms:
7-(prop-2-ene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline | 7-sulfonyl-THIQ 10 | CHEMBL280592
Type:
Small organic molecule
Emp. Form.:
C12H15NO2S
Mol. Mass.:
237.318
SMILES:
C=CCS(=O)(=O)c1ccc2CCNCc2c1