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Target
Chloroquine resistance transporter
Ligand
BDBM50399930
Substrate
n/a
Meas. Tech.
ChEMBL_877808 (CHEMBL2187303)
IC50
228000±n/a nM
Citation
 Gemma, S; Camodeca, C; Brindisi, M; Brogi, S; Kukreja, G; Kunjir, S; Gabellieri, E; Lucantoni, L; Habluetzel, A; Taramelli, D; Basilico, N; Gualdani, R; Tadini-Buoninsegni, F; Bartolommei, G; Moncelli, MR; Martin, RE; Summers, RL; Lamponi, S; Savini, L; Fiorini, I; Valoti, M; Novellino, E; Campiani, G; Butini, S Mimicking the intramolecular hydrogen bond: synthesis, biological evaluation, and molecular modeling of benzoxazines and quinazolines as potential antimalarial agents. J Med Chem 55:10387-404 (2012) [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:
BDBM50399930
Synonyms:
CHEMBL2181208
Type:
Small organic molecule
Emp. Form.:
C24H21ClN4
Mol. Mass.:
400.903
SMILES:
Clc1ccc2c(Nc3ccc4CN(Cc5ccccc5)CNc4c3)ccnc2c1
Structure:
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