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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Muscarinic acetylcholine receptor M2 | ||
| Ligand | BDBM50497842 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1455703 (CHEMBL3366378) | ||
| Ki | 8.5±n/a nM | ||
| Citation |  Schmitz, J; van der Mey, D; Bermudez, M; Klöckner, J; Schrage, R; Kostenis, E; Tränkle, C; Wolber, G; Mohr, K; Holzgrabe, U Dualsteric muscarinic antagonists--orthosteric binding pose controls allosteric subtype selectivity. J Med Chem57:6739-50 (2014) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Muscarinic acetylcholine receptor M2 | |||
| Name: | Muscarinic acetylcholine receptor M2 | ||
| Synonyms: | ACM2_HUMAN | CHRM2 | Cholinergic, muscarinic M2 | Muscarinic acetylcholine receptor M2 and M4 | Muscarinic acetylcholine receptor M2 and M5 | RecName: Full=Muscarinic acetylcholine receptor M2 | ||
| Type: | GPCR | ||
| Mol. Mass.: | 51730.61 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P08172 | ||
| Residue: | 466 | ||
| Sequence: |
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| BDBM50497842 | |||
| n/a | |||
| Name | BDBM50497842 | ||
| Synonyms: | CHEMBL3323281 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C42H57Br2N3O5 | ||
| Mol. Mass. | 843.727 | ||
| SMILES | [Br-].[Br-].[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23 |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(21.93,-8.07,;23.41,-4.94,;22,-13.38,;21.94,-11.51,;20.57,-12.24,;20.27,-13.74,;21.3,-13.01,;21.9,-14.78,;22.76,-12.95,;23.79,-13.7,;23.41,-12.18,;23.79,-15.22,;25.09,-15.95,;25.09,-17.44,;26.38,-15.2,;26.38,-13.7,;27.7,-12.97,;27.7,-15.95,;29,-15.2,;30.29,-15.95,;30.29,-17.44,;29,-18.19,;27.7,-17.44,;20.8,-10.36,;20.1,-9.04,;19.25,-10.36,;18.48,-9.02,;16.94,-9.02,;16.16,-7.68,;14.62,-7.68,;13.85,-6.35,;12.29,-6.34,;11.89,-4.84,;13.39,-5.24,;11.53,-7.68,;9.99,-7.69,;8.64,-6.92,;9.98,-6.14,;9.22,-9.04,;7.68,-9.04,;6.91,-10.39,;7.68,-11.72,;5.36,-10.39,;4.6,-11.72,;3.06,-11.73,;2.28,-10.39,;3.05,-9.07,;2.27,-7.74,;3.04,-6.39,;4.58,-6.39,;5.35,-7.72,;6.89,-7.71,;6.88,-6.16,;4.59,-9.06,)| | ||
| Structure | 
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