Reaction Details | |||
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Target | Sodium-dependent dopamine transporter | ||
Ligand | BDBM50177766 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_326505 (CHEMBL864472) | ||
Ki | 72±n/a nM | ||
Citation | Cha, JH; Zou, MF; Adkins, EM; Rasmussen, SG; Loland, CJ; Schoenenberger, B; Gether, U; Newman, AH Rhodamine-labeled 2beta-carbomethoxy-3beta-(3,4-dichlorophenyl)tropane analogues as high-affinity fluorescent probes for the dopamine transporter. J Med Chem48:7513-6 (2005) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Sodium-dependent dopamine transporter | |||
Name: | Sodium-dependent dopamine transporter | ||
Synonyms: | DA transporter | DAT | DAT1 | Dopamine transporter (DAT) | Dopamine transporter protein (DAT) | Monoamine transporter | SC6A3_HUMAN | SLC6A3 | Sodium-dependent dopamine transporter | Sodium-dependent dopamine transporter (DAT) | Solute carrier family 6 member 3 | ||
Type: | Multi-pass membrane protein | ||
Mol. Mass.: | 68497.11 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q01959 | ||
Residue: | 620 | ||
Sequence: |
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BDBM50177766 | |||
n/a | |||
Name | BDBM50177766 | ||
Synonyms: | 2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl)-5-(5-{2-[3-(3,4-dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carbonyloxy]-ethylcarbamoyl}-pentylsulfamoyl)-benzenesulfonic acid anion | CHEMBL372378 | ||
Type | Small organic molecule | ||
Emp. Form. | C50H61Cl2N5O9S2 | ||
Mol. Mass. | 1011.083 | ||
SMILES | CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOC(=O)[C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)c(Cl)c3)N4C)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:37.37,43.45,TLB:44:43:39.40:52,THB:35:37:39.40:52,(14.91,-13.52,;16.26,-12.74,;16.26,-11.19,;14.91,-10.41,;13.57,-11.19,;17.6,-10.42,;17.61,-8.86,;18.96,-8.08,;20.29,-8.87,;21.63,-8.11,;21.64,-6.57,;20.31,-5.78,;20.32,-4.23,;21.66,-3.48,;23,-4.26,;22.99,-5.8,;24.32,-6.58,;25.65,-7.36,;23.55,-7.91,;25.11,-5.26,;21.67,-1.93,;23.22,-1.94,;20.13,-1.92,;21.68,-.39,;20.34,.38,;19.01,-.39,;17.68,.37,;17.67,1.91,;16.34,2.68,;15,1.9,;15.01,.37,;13.67,2.67,;12.34,1.9,;11,2.66,;9.67,1.89,;8.33,2.65,;8.33,4.19,;7,1.88,;5.6,2.5,;4.29,1.8,;4,.35,;4.98,1.06,;6.36,1.13,;7.37,.41,;8.11,-.82,;9.54,-.79,;10.28,-2.01,;9.58,-3.28,;10.32,-4.5,;8.15,-3.3,;7.45,-4.55,;7.41,-2.07,;4.95,3.6,;4.57,4.98,;22.97,-8.88,;24.31,-8.12,;25.65,-8.89,;25.64,-10.44,;24.3,-11.21,;22.97,-10.43,;21.62,-11.2,;20.29,-10.42,;18.95,-11.19,;26.99,-11.21,;28.33,-10.44,;29.67,-11.21,;26.98,-12.76,;28.33,-13.54,)| | ||
Structure |