| Reaction Details |
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 | Report a problem with these data |
| Target | Chloroquine resistance transporter |
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| Ligand | BDBM519 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_877808 (CHEMBL2187303) |
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| IC50 | 13000±n/a nM |
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| 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 Chem55:10387-404 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Chloroquine resistance transporter |
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| Name: | Chloroquine resistance transporter |
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| Synonyms: | CRT | CRT_PLAFA | PfCRT |
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| Type: | PROTEIN |
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| Mol. Mass.: | 48687.29 |
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| Organism: | Plasmodium falciparum |
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| Description: | ChEMBL_1364181 |
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| Residue: | 424 |
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| Sequence: | MKFASKKNNQKNSSKNDERYRELDNLVQEGNGSRLGGGSCLGKCAHVFKLIFKEIKDNIF
IYILSIIYLSVCVMNKIFAKRTLNKIGNYSFVTSETHNFICMIMFFIVYSLFGNKKGNSK
ERHRSFNLQFFAISMLDACSVILAFIGLTRTTGNIQSFVLQLSIPINMFFCFLILRYRYH
LYNYLGAVIIVVTIALVEMKLSFETQEENSIIFNLVLISALIPVCFSNMTREIVFKKYKI
DILRLNAMVSFFQLFTSCLILPVYTLPFLKQLHLPYNEIWTNIKNGFACLFLGRNTVVEN
CGLGMAKLCDDCDGAWKTFALFSFFNICDNLITSYIIDKFSTMTYTIVSCIQGPAIAIAY
YFKFLAGDVVREPRLLDFVTLFGYLFGSIIYRVGNIILERKKMRNEENEDSEGELTNVDS
IITQ
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| BDBM519 |
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| n/a |
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| Name | BDBM519 |
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| 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 |
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| Type | Small organic molecule |
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| Emp. Form. | C38H50N6O5 |
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| Mol. Mass. | 670.8408 |
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| 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| |
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| Structure | 
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