Reaction Details Report a problem with these data
Target
Phenylethanolamine N-methyltransferase
Ligand
BDBM50554690
Substrate
n/a
Meas. Tech.
ChEMBL_2050315 (CHEMBL4705014)
Ki
3.3±n/a nM
Citation
 Lu, J; Bart, AG; Wu, Q; Criscione, KR; McLeish, MJ; Scott, EE; Grunewald, GL Structure-Based Drug Design of Bisubstrate Inhibitors of Phenylethanolamine  J Med Chem 63:13878-13898 (2020) [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:
BDBM50554690
Synonyms:
CHEMBL4782649
Type:
Small organic molecule
Emp. Form.:
C23H30ClN7O3S
Mol. Mass.:
520.047
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O |r|
Structure:
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