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Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50381652
Substrate
n/a
Meas. Tech.
ChEMBL_815844 (CHEMBL2026107)
Kd
0.0251±n/a nM
Citation
 Lainé, DI; Yan, H; Xie, H; Davis, RS; Dufour, J; Widdowson, KL; Palovich, MR; Wan, Z; Foley, JJ; Schmidt, DB; Hunsberger, GE; Burman, M; Bacon, AM; Webb, EF; Luttmann, MA; Salmon, M; Sarau, HM; Umbrecht, ST; Landis, PS; Peck, BJ; Busch-Petersen, J Design, synthesis and structure-activity relationship of N-substituted tropane muscarinic acetylcholine receptor antagonists. Bioorg Med Chem Lett 22:3366-9 (2012) [PubMed]  Article 
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:
BDBM50381652
Synonyms:
CHEMBL2023760
Type:
Small organic molecule
Emp. Form.:
C27H33N2
Mol. Mass.:
385.5638
SMILES:
C[N@+]1(CC2CC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:11.13,1.0,TLB:0:1:11.10.28:8.7,THB:2:1:11.10.28:8.7,12:11:1:8.7,(16.85,-39.66,;18.34,-40.07,;19.1,-38.73,;18.32,-37.4,;18.31,-35.87,;16.98,-36.65,;19.4,-40.91,;18.8,-42.24,;17.62,-42.96,;18.6,-41.61,;20.45,-41.61,;21.43,-42.42,;22.2,-43.75,;23.74,-43.75,;24.13,-42.25,;24.53,-40.75,;24.52,-45.08,;23.75,-46.41,;24.52,-47.74,;26.06,-47.74,;26.83,-46.4,;26.05,-45.07,;25.22,-43.34,;26.32,-44.42,;27.8,-44.02,;28.19,-42.53,;27.08,-41.44,;25.6,-41.86,;21.16,-40.87,)|
Structure:
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