Reaction Details Report a problem with these data
Target
Phenylethanolamine N-methyltransferase
Ligand
BDBM13022
Substrate
n/a
Meas. Tech.
ChEMBL_152399 (CHEMBL764115)
Ki
660.0±n/a nM
Citation
 Grunewald, GL; Caldwell, TM; Li, Q; Dahanukar, VH; McNeil, B; Criscione, KR Enantiospecific synthesis of 3-fluoromethyl-, 3-hydroxymethyl-, and 3-chloromethyl-1,2,3,4-tetrahydroisoquinolines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor. J Med Chem 42:4351-61 (1999) [PubMed]  Article 
Target
Name:
Phenylethanolamine N-methyltransferase
Synonyms:
Noradrenaline N-methyltransferase | PNMT | PNMT_BOVIN | PNMTase
Type:
Enzyme
Mol. Mass.:
30916.97
Organism:
Bos taurus (bovine)
Description:
n/a
Residue:
283
Sequence:
MSGTDRSQAAGAVPDSDPGLAAVSSAYQRFEPRAYLRNNYAPPRGDLSCPDGVGPWKLRCLAQTFATGEVSGRTLIDIGSGPTIYQLLSACAHFEDITMTDFLEVNRQELRLWLREEPGAFDWSVYSQHVCLIEGKGESWQEKECQLRARVKRILPIDVHRPQPLGAGGLAPLPADALVSAFCLEAVSPDLASFQRALDHITTLLRPGGHLLLIGALEESWYLAGEARLAVVPVREEEVREALVRTATRCGICARTPMPAHLQTGVDDVKGIFFTRAQKKVGV
  
Inhibitor
Name:
BDBM13022
Synonyms:
3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | 7-sulfonamide-THIQ 12 | CHEMBL95873
Type:
Small organic molecule
Emp. Form.:
C10H13FN2O2S
Mol. Mass.:
244.286
SMILES:
NS(=O)(=O)c1ccc2CC(CF)NCc2c1
Structure:
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