Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM354675
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
IC50
5.5±n/a nM
Citation
 Armani, E; Amari, G; Blackaby, W; Van De Poel, H; Baker-Glenn, C; Trivedi, N Aminoester derivatives US Patent  US9809582 Publication Date 11/7/2017 
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:
BDBM354675
Synonyms:
US9809582, Example 19
Type:
Small organic molecule
Emp. Form.:
C37H39Cl2N3O8S
Mol. Mass.:
756.692
SMILES:
COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC[C@](O)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,31.34,wD:31.33,36.37,(-6.47,-8.73,;-5.13,-9.5,;-3.8,-8.73,;-2.47,-9.5,;-1.13,-8.73,;-1.13,-7.19,;-2.47,-6.42,;-3.8,-7.19,;-5.13,-6.42,;-6.47,-7.19,;.2,-6.42,;1.53,-7.19,;2.87,-6.42,;2.87,-4.88,;1.53,-4.11,;4.2,-4.11,;5.53,-4.88,;6.87,-4.11,;5.53,-6.42,;4.2,-7.19,;4.2,-8.73,;.2,-4.88,;-1.13,-4.11,;-2.47,-4.88,;-1.13,-2.57,;-2.38,-1.66,;-1.9,-.2,;-.36,-.2,;.41,1.14,;-.36,2.47,;.41,3.81,;-.36,5.14,;-1.13,6.47,;.73,6.23,;.33,7.72,;2.21,5.83,;3.3,6.92,;4.79,6.52,;5.88,7.61,;5.48,9.1,;3.99,9.5,;2.9,8.41,;4.39,8.8,;4.39,7.21,;-1.85,4.74,;-2.94,5.83,;-4.43,5.43,;-4.83,3.94,;-3.74,2.85,;-2.25,3.25,;.11,-1.66,)|
Structure:
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