Reaction Details  Report a problem with these data
Target
Phosphoethanolamine N-methyltransferase
Ligand
BDBM50462274
Substrate
n/a
Meas. Tech.
ChEMBL_1774479 (CHEMBL4231471)
IC50
44300±n/a nM
Citation
 Vallone, A; D'Alessandro, S; Brogi, S; Brindisi, M; Chemi, G; Alfano, G; Lamponi, S; Lee, SG; Jez, JM; Koolen, KJM; Dechering, KJ; Saponara, S; Fusi, F; Gorelli, B; Taramelli, D; Parapini, S; Caldelari, R; Campiani, G; Gemma, S; Butini, S Antimalarial agents against both sexual and asexual parasites stages: structure-activity relationships and biological studies of the Malaria Box compound 1-[5-(4-bromo-2-chlorophenyl)furan-2-yl]-N-[(piperidin-4-yl)methyl]methanamine (MMV019918) and analogues. Eur J Med Chem 150:698-718 (2018) [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:
BDBM50462274
Synonyms:
CHEMBL4246869
Type:
Small organic molecule
Emp. Form.:
C23H25ClN2O
Mol. Mass.:
380.91
SMILES:
Clc1ccc(-c2ccc(CNCC3CCNCC3)o2)c(c1)-c1ccccc1
Structure:
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