Ki Summary

Reaction Details

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Target

Muscarinic acetylcholine receptor M3

Ligand

BDBM50609883

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2279662

24±n/a nM

Citation

K�ckenberger, J; Fischer, O; Konopa, A; Bergwinkl, S; M�hlich, S; Gmeiner, P; Kutta, RJ; H�bner, H; Keller, M; Heinrich, MR Synthesis, Characterization, and Application of Muscarinergic M J Med Chem65:16494-16509 (2022) [PubMed]

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

BDBM50609883

n/a

Name

BDBM50609883

Synonyms:

CHEMBL5285607

Type

Small organic molecule

Emp. Form.

C58H63ClF2N10O5

Mol. Mass.

1053.635

SMILES

CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCCN5CCC(COC(=O)Nc6ccc(F)cc6-c6ccc(F)c(Cl)c6)CC5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(18.94,10.27,;18.94,8.73,;20.27,7.96,;17.6,7.96,;17.61,6.42,;16.28,5.65,;14.94,6.42,;13.61,5.65,;13.61,4.11,;12.27,3.34,;12.27,1.8,;13.6,1.03,;14.94,1.81,;14.93,3.35,;16.47,3.35,;17.24,4.68,;17.24,2.01,;13.6,-.51,;12.46,-1.54,;13.09,-2.94,;12.32,-4.28,;10.78,-4.28,;10.01,-5.61,;8.47,-5.61,;7.7,-6.94,;6.16,-6.94,;5.13,-5.8,;3.72,-6.43,;2.39,-5.66,;1.05,-6.43,;-.28,-5.66,;-1.61,-6.43,;-2.95,-5.66,;-4.28,-6.43,;-5.62,-5.66,;-5.6,-4.12,;-6.93,-3.33,;-8.27,-4.09,;-9.61,-3.33,;-10.94,-4.1,;-12.27,-3.34,;-12.28,-1.8,;-13.6,-4.11,;-13.6,-5.65,;-12.27,-6.42,;-12.26,-7.96,;-13.59,-8.73,;-13.58,-10.27,;-14.93,-7.97,;-14.93,-6.43,;-16.27,-5.66,;-17.6,-6.44,;-18.93,-5.67,;-18.94,-4.13,;-20.27,-3.37,;-17.61,-3.36,;-17.62,-1.82,;-16.27,-4.11,;-8.28,-5.63,;-6.96,-6.41,;3.88,-7.96,;5.39,-8.28,;14.62,-2.78,;14.94,-1.28,;12.27,6.42,;10.94,5.65,;9.6,6.42,;9.61,7.96,;10.94,8.73,;12.27,7.96,;13.61,8.73,;14.94,7.96,;16.27,8.73,;8.27,8.73,;6.94,7.96,;8.27,10.27,)|

Structure