Reaction Details 
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Report a problem with these dataTarget
Muscarinic acetylcholine receptor M3
Ligand
BDBM50581205
Substrate
n/a
Meas. Tech.
ChEMBL_2150070 (CHEMBL5034532)
Ki
0.630957±n/a nM
Citation
Armani, E; Rizzi, A; Capaldi, C; De Fanti, R; Delcanale, M; Villetti, G; Marchini, G; Pisano, AR; Pitozzi, V; Pittelli, MG; Trevisani, M; Salvadori, M; Cenacchi, V; Puccini, P; Amadei, F; Pappani, A; Civelli, M; Patacchini, R; Baker-Glenn, CAG; Van de Poël, H; Blackaby, WP; Nash, K; Amari, G Discovery of M J Med Chem 64:9100-9119 (2021) [PubMed] ArticleMore Info.:
Target
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:
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
Inhibitor
Name:
BDBM50581205
Synonyms:
CHEMBL5077424
Type:
Small organic molecule
Emp. Form.:
C37H39Cl2N3O7S
Mol. Mass.:
740.692
SMILES:
COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)C(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:35.36,(20.59,-23.22,;21.92,-23.99,;23.26,-23.22,;24.59,-23.99,;25.92,-23.22,;25.92,-21.67,;24.59,-20.9,;23.26,-21.68,;21.93,-20.91,;21.93,-19.37,;27.26,-20.89,;28.59,-21.66,;29.92,-20.88,;31.26,-21.65,;31.26,-23.19,;32.59,-20.88,;32.58,-19.34,;33.91,-18.56,;31.24,-18.57,;29.91,-19.35,;28.57,-18.59,;27.25,-19.35,;25.91,-18.59,;24.58,-19.36,;25.9,-17.05,;24.65,-16.14,;25.12,-14.68,;26.7,-14.7,;27.56,-13.42,;26.89,-12.04,;25.35,-11.93,;27.75,-10.76,;29.28,-10.88,;29.96,-12.26,;30.14,-9.59,;31.68,-9.71,;32.35,-11.1,;33.88,-11.22,;32.59,-10.34,;33.8,-9.31,;32.54,-8.44,;34.08,-8.56,;34.75,-9.95,;27.07,-9.38,;27.94,-8.11,;27.27,-6.72,;25.73,-6.61,;24.87,-7.9,;25.54,-9.27,;27.15,-16.14,)|
Structure:
