Reaction Details
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Report a problem with these dataTarget
Muscarinic acetylcholine receptor M3
Ligand
BDBM50581182
Substrate
n/a
Meas. Tech.
ChEMBL_2150070 (CHEMBL5034532)
Ki
1.3±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:
BDBM50581182
Synonyms:
CHEMBL5080391
Type:
Small organic molecule
Emp. Form.:
C40H39Cl2F2N3O7
Mol. Mass.:
782.656
SMILES:
[O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2cccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1 |r,wU:7.7,wD:21.20,(80.86,-8.1,;79.53,-8.88,;78.19,-8.11,;76.86,-8.89,;75.52,-8.13,;76.88,-10.42,;75.54,-11.2,;74.21,-10.43,;74.2,-8.89,;72.87,-8.13,;71.53,-8.9,;72.86,-6.59,;71.53,-5.83,;71.52,-4.3,;72.85,-3.51,;74.19,-4.28,;75.52,-3.5,;75.51,-1.96,;76.85,-1.19,;76.84,.35,;78.18,-1.96,;79.51,-1.18,;80.85,-1.95,;82.18,-1.19,;82.18,.36,;80.84,1.13,;79.5,.36,;80.36,-1.06,;81.39,.16,;74.18,-1.2,;74.18,.34,;72.85,1.12,;71.52,.34,;71.53,-1.21,;72.86,-1.97,;74.19,-5.82,;72.88,-11.21,;72.88,-12.76,;71.55,-13.53,;70.21,-12.76,;68.88,-13.53,;67.54,-12.76,;66.21,-13.53,;67.54,-11.22,;70.21,-11.22,;68.88,-10.45,;68.88,-8.91,;67.55,-8.14,;66.78,-6.81,;66.01,-8.14,;71.54,-10.44,;78.21,-11.19,;78.21,-12.73,;79.54,-10.42,)|
Structure:
