Reaction Details
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Report a problem with these dataTarget
Muscarinic acetylcholine receptor M3
Ligand
BDBM50581201
Substrate
n/a
Meas. Tech.
ChEMBL_2150070 (CHEMBL5034532)
Ki
0.316228±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] Article More 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:
BDBM50581201
Synonyms:
CHEMBL5085717
Type:
Small organic molecule
Emp. Form.:
C37H36Cl2F3N3O7S
Mol. Mass.:
794.664
SMILES:
CC(C)Oc1cc(ccc1OC(F)F)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)s1 |r,wU:14.26,wD:37.38,(8.35,-14.65,;9.68,-15.42,;11.02,-14.65,;9.68,-16.95,;11.02,-17.72,;12.34,-16.95,;13.67,-17.72,;13.68,-19.27,;12.34,-20.04,;11.01,-19.27,;9.68,-20.04,;8.34,-19.27,;8.34,-17.73,;7.01,-20.04,;15.01,-16.94,;16.34,-17.71,;17.67,-16.93,;19.01,-17.7,;19.01,-19.24,;20.34,-16.93,;20.33,-15.39,;21.66,-14.61,;18.99,-14.63,;17.66,-15.4,;16.32,-14.64,;15,-15.4,;13.66,-14.64,;12.33,-15.41,;13.66,-13.1,;12.4,-12.2,;12.87,-10.74,;14.41,-10.73,;15.31,-9.48,;14.67,-8.08,;15.57,-6.83,;14.94,-5.42,;17.05,-6.94,;18,-5.73,;19.53,-5.97,;20.49,-4.77,;19.27,-3.81,;18.75,-5.31,;17.44,-4.31,;18.41,-3.1,;19.93,-3.34,;13.14,-7.93,;12.25,-9.19,;10.72,-9.05,;10.07,-7.64,;10.97,-6.38,;12.5,-6.53,;13.4,-5.28,;14.9,-12.19,)|
Structure:
