Reaction Details | |||
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Target | Muscarinic acetylcholine receptor M3 | ||
Ligand | BDBM50569295 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2108812 (CHEMBL4817487) | ||
Ki | 0.398107±n/a nM | ||
Citation | Rancati, F; Linney, ID; Rizzi, A; Delcanale, M; Knight, CK; Schmidt, W; Pastore, F; Riccardi, B; Mileo, V; Carnini, C; Cesari, N; Blackaby, WP; Patacchini, R; Carzaniga, L Discovery of a novel class of inhaled dual pharmacology muscarinic antagonist and ? Bioorg Med Chem Lett41:0 (2021) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Muscarinic acetylcholine receptor M3 | |||
Name: | Muscarinic acetylcholine receptor M3 | ||
Synonyms: | ACM3_HUMAN | CHRM3 | Cholinergic, muscarinic M3 | Muscarinic Receptors M3 | Muscarinic receptor M3 | RecName: Full=Muscarinic acetylcholine receptor M3 | ||
Type: | Enzyme | ||
Mol. Mass.: | 66151.03 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P20309 | ||
Residue: | 590 | ||
Sequence: |
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BDBM50569295 | |||
n/a | |||
Name | BDBM50569295 | ||
Synonyms: | CHEMBL4854418 | ||
Type | Small organic molecule | ||
Emp. Form. | C39H48N4O6 | ||
Mol. Mass. | 668.8216 | ||
SMILES | O[C@@H](CNCCCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:23.23,(39.22,-23.81,;40.55,-24.58,;41.88,-23.8,;43.22,-24.57,;44.55,-23.79,;45.89,-24.56,;47.22,-23.79,;48.55,-24.55,;49.89,-23.78,;51.22,-24.54,;52.55,-23.77,;53.89,-24.54,;55.22,-23.76,;55.21,-22.23,;56.54,-21.45,;57.88,-22.22,;57.88,-23.76,;56.55,-24.53,;59.22,-24.53,;60.55,-23.75,;61.89,-24.51,;61.89,-26.06,;63.22,-23.74,;64.55,-24.5,;64.55,-26.05,;65.88,-26.81,;67.21,-26.05,;67.21,-24.5,;65.87,-23.73,;66.63,-25.06,;65.1,-25.47,;59.22,-26.07,;57.89,-26.83,;57.89,-28.37,;59.23,-29.14,;60.56,-28.36,;60.55,-26.82,;40.56,-26.12,;39.23,-26.89,;39.23,-28.43,;40.56,-29.2,;40.56,-30.74,;41.89,-28.43,;43.22,-29.2,;44.56,-28.43,;45.89,-29.2,;44.56,-26.88,;43.23,-26.1,;41.89,-26.88,)| | ||
Structure |