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Target
Chloroquine resistance transporter
Ligand
BDBM519
Substrate
n/a
Meas. Tech.
ChEMBL_877808 (CHEMBL2187303)
IC50
13000±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:
BDBM519
Synonyms:
(2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide | CHEMBL114 | Fortovase | Invirase | Ro 31-8959 | SQV | Saquinavir
Type:
Small organic molecule
Emp. Form.:
C38H50N6O5
Mol. Mass.:
670.8408
SMILES:
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |@:16|
Structure:
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