Reaction Details Report a problem with these data
Target
Phosphoethanolamine N-methyltransferase
Ligand
BDBM50041457
Substrate
n/a
Meas. Tech.
ChEMBL_829173 (CHEMBL2059995)
IC50
1350000±n/a nM
Citation
 Lee, SG; Alpert, TD; Jez, JM Crystal structure of phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with amodiaquine. Bioorg Med Chem Lett 22:4990-3 (2012) [PubMed]  Article 
Target
Name:
Phosphoethanolamine N-methyltransferase
Synonyms:
PMT
Type:
PROTEIN
Mol. Mass.:
31038.21
Organism:
Plasmodium falciparum
Description:
ChEMBL_829173
Residue:
266
Sequence:
MTLIENLNSDKTFLENNQYTDEGVKVYEFIFGENYISSGGLEATKKILSDIELNENSKVLDIGSGLGGGCMYINEKYGAHTHGIDICSNIVNMANERVSGNNKIIFEANDILTKEFPENNFDLIYSRDAILHLSLENKNKLFQKCYKWLKPTGTLLITDYCATEKENWDDEFKEYVKQRKYTLITVEEYADILTACNFKNVVSKDLSDYWNQLLEVEHKYLHENKEEFLKLFSEKKFISLDDGWSRKIKDSKRKMQRWGYFKATKN
  
Inhibitor
Name:
BDBM50041457
Synonyms:
4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol | AMODIAQUINE | CHEMBL682 | med.21724, Compound 188
Type:
Small organic molecule
Emp. Form.:
C20H22ClN3O
Mol. Mass.:
355.861
SMILES:
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
Structure:
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