Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM228848
Substrate
n/a
Meas. Tech.
[3H]-NMS Binding Assay
IC50
4.8±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:
BDBM228848
Synonyms:
US9333195, 8 | US9687478, 8
Type:
Small Organic Molecule
Emp. Form.:
C28H32NO4S
Mol. Mass.:
478.622
SMILES:
OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1ccccc1 |wU:5.4,TLB:4:5:18.19:21.22,(4.32,2.14,;5.28,.94,;4.08,-.02,;2.64,.54,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;1.97,-4.82,;.62,-5.57,;-.7,-4.78,;-2.05,-5.53,;-3.37,-4.74,;-4.71,-5.49,;-6.04,-4.7,;-6.01,-3.16,;-4.67,-2.41,;-3.35,-3.2,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;6.24,-.27,;5.83,-1.75,;7.12,-2.6,;8.32,-1.64,;7.78,-.2,;6.49,1.9,;6.26,3.42,;7.46,4.38,;8.9,3.81,;9.12,2.29,;7.92,1.33,)|
Structure:
Search PDB for entries with ligand similarity: