| Reaction Details |
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 | Report a problem with these data |
| Target | Chloroquine resistance transporter |
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| Ligand | BDBM50338982 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_864478 (CHEMBL2176281) |
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| IC50 | 30000±n/a nM |
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| Citation |  Gemma, S; Camodeca, C; Sanna Coccone, S; Joshi, BP; Bernetti, M; Moretti, V; Brogi, S; Bonache de Marcos, MC; Savini, L; Taramelli, D; Basilico, N; Parapini, S; Rottmann, M; Brun, R; Lamponi, S; Caccia, S; Guiso, G; Summers, RL; Martin, RE; Saponara, S; Gorelli, B; Novellino, E; Campiani, G; Butini, S Optimization of 4-aminoquinoline/clotrimazole-based hybrid antimalarials: further structure-activity relationships, in vivo studies, and preliminary toxicity profiling. J Med Chem55:6948-67 (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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| BDBM50338982 |
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| n/a |
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| Name | BDBM50338982 |
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| Synonyms: | (R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile | (S)-2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile | (S)-2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile; hydrochloride | (S)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile | (Verapamil) 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile | 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-isopropyl-amino}-2-methyl-pentanenitrile(Verapamil) | 2-(3,4-dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile | 4-[3,4-dimethoxyphenethyl(methyl)amino]-1-(3,4-dimethoxyphenyl)-1-isopropylbutyl cyanide | 5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile | 5-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-2-(3,4,5-trimethoxy-phenyl)-pentanenitrile | 5-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-2-(4-methoxy-phenyl)-pentanenitrile | CP-16533-1 | Calan | Calan SR | Covera-HS | D-365 | Iproveratril | Isoptin | Isoptin SR | Tarka | VERAPAMIL | Verapamil;2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile | Verapramil | Verelan | verapamil-R |
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| Type | Small organic molecule |
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| Emp. Form. | C27H38N2O4 |
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| Mol. Mass. | 454.6016 |
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| SMILES | COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r| |
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| Structure | 
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