Reaction Details Report a problem with these data
Target
Chloroquine resistance transporter
Ligand
BDBM50563442
Substrate
n/a
Meas. Tech.
ChEMBL_2082532 (CHEMBL4738323)
IC50
15600±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:
BDBM50563442
Synonyms:
CHEMBL4754685
Type:
Small organic molecule
Emp. Form.:
C50H42Cl4N6
Mol. Mass.:
868.721
SMILES:
Clc1ccc(cc1)C(Nc1ccnc2cc(Cl)ccc12)c1ccc(CN2CCN(Cc3ccc(cc3)C(Nc3ccnc4cc(Cl)ccc34)c3cccc(Cl)c3)CC2)cc1
Structure:
Search PDB for entries with ligand similarity: