Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM354664
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:
BDBM354664
Synonyms:
US9809582, Example 7
Type:
Small organic molecule
Emp. Form.:
C38H41Cl2N3O7S
Mol. Mass.:
754.719
SMILES:
COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:36.37,(-6.42,-8.8,;-5.08,-9.57,;-3.75,-8.8,;-2.41,-9.57,;-1.08,-8.8,;-1.08,-7.26,;-2.41,-6.49,;-3.75,-7.26,;-5.08,-6.49,;-6.42,-7.26,;.25,-6.49,;1.59,-7.26,;2.92,-6.49,;2.92,-4.95,;1.59,-4.18,;4.25,-4.18,;5.59,-4.95,;6.92,-4.18,;5.59,-6.49,;4.25,-7.26,;4.25,-8.8,;.25,-4.95,;-1.08,-4.18,;-2.41,-4.95,;-1.08,-2.64,;-2.33,-1.74,;-1.85,-.27,;-.31,-.27,;.46,1.06,;-.31,2.4,;.46,3.73,;.06,5.22,;-.34,6.7,;1.15,6.31,;.75,7.79,;2.64,5.91,;3.73,7,;5.21,6.6,;6.3,7.69,;5.9,9.17,;4.42,9.57,;3.33,8.48,;4.42,7.39,;5.19,8.73,;-1.43,5.61,;-2.52,4.53,;-4,4.92,;-4.4,6.41,;-3.31,7.5,;-1.83,7.1,;.16,-1.74,)|
Structure:
Search PDB for entries with ligand similarity: