Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM228864
Substrate
n/a
Meas. Tech.
[3H]-NMS Binding Assay
IC50
19±n/a nM
Citation
 Fernandez Forner, MD; Prat Quinones, M; Buil Albero, MA Quinuclidine derivatives and medicinal compositions containing the same US Patent  US9333195 Publication Date 5/10/2016 
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:
BDBM228864
Synonyms:
US9333195, 138
Type:
Small Organic Molecule
Emp. Form.:
C28H30NO4S
Mol. Mass.:
476.607
SMILES:
OC1(C(=O)O[C@H]2C[N+]3(CCCc4cccs4)CCC2CC3)c2ccccc2Oc2ccccc12 |wU:5.4,TLB:4:5:16.17:19.20,(4.53,.68,;4,-.77,;5.52,-1.04,;6.04,-2.48,;6.51,.14,;8.02,-.13,;8.9,1.03,;9.34,-.44,;10.51,.56,;11.96,.05,;13.13,1.05,;14.59,.54,;15.03,-.94,;16.57,-.98,;17.08,.48,;15.85,1.41,;7.72,-1.53,;7.17,-2.62,;8.47,-1.57,;9.96,-2.26,;10.88,-1.18,;4,-2.31,;5.33,-3.08,;5.33,-4.62,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,)|
Structure:
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