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Target
Chloroquine resistance transporter
Ligand
BDBM50563441
Substrate
n/a
Meas. Tech.
ChEMBL_2082532 (CHEMBL4738323)
IC50
12500±n/a nM
Citation
 Relitti, N; Federico, S; Pozzetti, L; Butini, S; Lamponi, S; Taramelli, D; D'Alessandro, S; Martin, RE; Shafik, SH; Summers, RL; Babij, SK; Habluetzel, A; Tapanelli, S; Caldelari, R; Gemma, S; Campiani, G Synthesis and biological evaluation of benzhydryl-based antiplasmodial agents possessing Plasmodium falciparum chloroquine resistance transporter (PfCRT) inhibitory activity. Eur J Med Chem 215:0 (2021) [PubMed]  Article 
Target
Name:
Chloroquine resistance transporter
Synonyms:
CRT | CRT_PLAFA | PfCRT
Type:
PROTEIN
Mol. Mass.:
48687.29
Organism:
Plasmodium falciparum
Description:
ChEMBL_1364181
Residue:
424
Sequence:
MKFASKKNNQKNSSKNDERYRELDNLVQEGNGSRLGGGSCLGKCAHVFKLIFKEIKDNIFIYILSIIYLSVCVMNKIFAKRTLNKIGNYSFVTSETHNFICMIMFFIVYSLFGNKKGNSKERHRSFNLQFFAISMLDACSVILAFIGLTRTTGNIQSFVLQLSIPINMFFCFLILRYRYHLYNYLGAVIIVVTIALVEMKLSFETQEENSIIFNLVLISALIPVCFSNMTREIVFKKYKIDILRLNAMVSFFQLFTSCLILPVYTLPFLKQLHLPYNEIWTNIKNGFACLFLGRNTVVENCGLGMAKLCDDCDGAWKTFALFSFFNICDNLITSYIIDKFSTMTYTIVSCIQGPAIAIAYYFKFLAGDVVREPRLLDFVTLFGYLFGSIIYRVGNIILERKKMRNEENEDSEGELTNVDSIITQ
  
Inhibitor
Name:
BDBM50563441
Synonyms:
CHEMBL4745810
Type:
Small organic molecule
Emp. Form.:
C25H28ClN7O
Mol. Mass.:
477.989
SMILES:
COc1cc(NC(c2ccc(CN3CCNCC3)cc2)c2cccc(Cl)c2)n2nc(C)nc2n1
Structure:
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