Reaction Details Report a problem with these data
Target
Phenylethanolamine N-methyltransferase
Ligand
BDBM13018
Substrate
n/a
Meas. Tech.
ChEMBL_152397 (CHEMBL764113)
Ki
1300±n/a nM
Citation
 Grunewald, GL; Dahanukar, VH; Jalluri, RK; Criscione, KR Synthesis, biochemical evaluation, and classical and three-dimensional quantitative structure-activity relationship studies of 7-substituted-1,2,3,4-tetrahydroisoquinolines and their relative affinities toward phenylethanolamine N-methyltransferase and the alpha2-adrenoceptor. J Med Chem 42:118-34 (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:
BDBM13018
Synonyms:
7-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline | 7-sulfonyl-THIQ 8 | CHEMBL27664
Type:
Small organic molecule
Emp. Form.:
C10H13NO2S
Mol. Mass.:
211.281
SMILES:
CS(=O)(=O)c1ccc2CCNCc2c1
Structure:
Search PDB for entries with ligand similarity: