Reaction Details |
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Target | Vesicular acetylcholine transporter |
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Ligand | BDBM50292907 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1503355 (CHEMBL3590746) |
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Ki | 2.7±n/a nM |
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Citation | Barthel, C; Sorger, D; Deuther-Conrad, W; Scheunemann, M; Schweiger, S; Jäckel, P; Roghani, A; Steinbach, J; Schüürmann, G; Sabri, O; Brust, P; Wenzel, B New systematically modified vesamicol analogs and their affinity and selectivity for the vesicular acetylcholine transporter - A critical examination of the lead structure. Eur J Med Chem100:50-67 (2015) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Vesicular acetylcholine transporter |
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Name: | Vesicular acetylcholine transporter |
Synonyms: | TorVAChT | VACHT_TETCF | VAChT |
Type: | PROTEIN |
Mol. Mass.: | 56111.93 |
Organism: | Torpedo californica |
Description: | ChEMBL_1503355 |
Residue: | 515 |
Sequence: | MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVI
VPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAI
LQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFAD
TSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCL
LDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNW
MKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIP
ACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALG
PIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYD
TIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE
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BDBM50292907 |
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n/a |
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Name | BDBM50292907 |
Synonyms: | (+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl)methanone | (+/-)-trans-2-Hydroxy-3-(4-(4-fluorobenzoyl)piperidino)tetralin | (-)-trans(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl)methanone | CHEMBL473129 |
Type | Small organic molecule |
Emp. Form. | C22H24FNO2 |
Mol. Mass. | 353.4299 |
SMILES | O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| |
Structure |
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