Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM228859
Substrate
n/a
Meas. Tech.
[3H]-NMS Binding Assay
IC50
31±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:
BDBM228859
Synonyms:
US9333195, 109
Type:
Small Organic Molecule
Emp. Form.:
C28H28NO3S
Mol. Mass.:
458.591
SMILES:
CCC1(c2ccsc12)[N+]12CCC(CC1)[C@H](C2)OC(=O)C1(O)c2ccccc2-c2ccccc12 |wU:14.19,TLB:16:14:9.10:12.13,(-7.57,-7.59,;-6.82,-6.25,;-5.28,-6.23,;-3.83,-6.74,;-2.51,-7.55,;-2.87,-9.04,;-4.4,-9.17,;-5,-7.75,;-5.03,-4.71,;-4.48,-2.83,;-4.77,-1.65,;-5.08,-3.29,;-6.66,-3.72,;-6.68,-5.14,;-3.81,-4.11,;-3.74,-5.56,;-2.48,-3.34,;-2.48,-1.8,;-3.81,-1.03,;-1.14,-1.03,;-2.05,.22,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.01,-2.28,;1.92,-3.52,;1.29,-4.93,;-.24,-5.09,;-1.14,-3.84,;-.52,-2.44,)|
Structure:
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