Ki Summary

Reaction Details

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Target

Muscarinic acetylcholine receptor M3

Ligand

BDBM50581179

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2150070 (CHEMBL5034532)

0.794328±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 Po�l, H; Blackaby, WP; Nash, K; Amari, G Discovery of M J Med Chem64:9100-9119 (2021) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Muscarinic acetylcholine receptor M3

Name:

Muscarinic acetylcholine receptor M3

Synonyms:

Type:

Enzyme

Mol. Mass.:

66151.03

Organism:

Homo sapiens (Human)

Description:

P20309

Residue:

590

Sequence:

MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPL
GGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVI
SMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKR
TTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAF
YMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSM
KRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSE
TRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSF
PKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKR
MSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVN
PVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL

BDBM50581179

n/a

Name

BDBM50581179

Synonyms:

CHEMBL5078680

Type

Small organic molecule

Emp. Form.

C40H39Cl2F2N3O7

Mol. Mass.

782.656

SMILES

[O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2cccc(NC(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,(17.64,-7.86,;16.31,-8.64,;14.96,-7.87,;13.64,-8.65,;12.3,-7.89,;13.65,-10.18,;12.32,-10.96,;10.98,-10.19,;10.98,-8.65,;9.64,-7.89,;8.31,-8.66,;9.64,-6.35,;8.3,-5.59,;8.29,-4.05,;9.63,-3.27,;10.96,-4.04,;12.3,-3.26,;12.29,-1.72,;13.62,-.95,;13.62,.59,;14.96,-1.71,;16.29,-.94,;17.62,-1.71,;18.95,-.95,;18.95,.6,;17.62,1.37,;16.28,.6,;17.13,-.82,;18.17,.4,;10.95,-.96,;10.96,.58,;9.62,1.36,;8.29,.58,;8.3,-.97,;9.64,-1.73,;10.97,-5.58,;9.65,-10.97,;9.66,-12.52,;8.32,-13.29,;6.99,-12.52,;5.65,-13.29,;4.32,-12.52,;2.99,-13.29,;4.32,-10.98,;6.99,-10.97,;5.66,-10.2,;5.66,-8.66,;4.32,-7.89,;3.55,-6.57,;2.78,-7.9,;8.32,-10.2,;14.98,-10.95,;14.99,-12.49,;16.31,-10.18,)|

Structure