Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM354671
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
IC50
<1±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:
BDBM354671
Synonyms:
US9809582, Example 15
Type:
Small organic molecule
Emp. Form.:
C38H39Cl2N3O7S
Mol. Mass.:
752.703
SMILES:
COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN2CC(C2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:36.38,(-20.34,-18.96,;-19.01,-19.73,;-17.68,-18.96,;-16.34,-19.73,;-15.01,-18.96,;-15.01,-17.42,;-16.34,-16.65,;-17.68,-17.42,;-19.01,-16.65,;-20.34,-17.42,;-13.67,-16.65,;-12.34,-17.42,;-11.01,-16.65,;-11.01,-15.11,;-12.34,-14.34,;-9.67,-14.34,;-8.34,-15.11,;-7.01,-14.34,;-8.34,-16.65,;-9.67,-17.42,;-9.67,-18.96,;-13.67,-15.11,;-15.01,-14.34,;-16.34,-15.11,;-15.01,-12.8,;-16.25,-11.89,;-15.78,-10.43,;-14.24,-10.43,;-13.47,-9.09,;-14.24,-7.76,;-15.33,-6.67,;-14.24,-5.58,;-13.15,-6.67,;-12.9,-4.81,;-12.9,-3.27,;-11.57,-5.58,;-10.24,-4.81,;-8.9,-5.58,;-7.57,-4.81,;-7.57,-3.27,;-8.9,-2.5,;-10.24,-3.27,;-8.7,-3.27,;-9.47,-4.6,;-15.57,-4.81,;-16.91,-5.58,;-18.24,-4.81,;-18.24,-3.27,;-16.91,-2.5,;-15.57,-3.27,;-13.76,-11.89,)|
Structure:
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