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Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50381641
Substrate
n/a
Meas. Tech.
ChEMBL_815844 (CHEMBL2026107)
Kd
0.631±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:
BDBM50381641
Synonyms:
CHEMBL2023758
Type:
Small organic molecule
Emp. Form.:
C28H37N2O2
Mol. Mass.:
433.605
SMILES:
COCCOCC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:14.15,TLB:8:7:14.13.31:11.10,THB:6:7:14.13.31:11.10,15:14:7:11.10,(-7.22,-32.85,;-7.99,-34.19,;-7.21,-35.52,;-7.97,-36.86,;-7.19,-38.19,;-7.95,-39.53,;-7.17,-40.86,;-7.93,-42.2,;-9.43,-41.79,;-6.88,-43.03,;-7.48,-44.37,;-8.66,-45.08,;-7.67,-43.73,;-5.83,-43.73,;-4.85,-44.54,;-4.08,-45.87,;-2.54,-45.87,;-2.15,-44.37,;-1.75,-42.87,;-1.77,-47.2,;-2.53,-48.53,;-1.76,-49.86,;-.22,-49.86,;.55,-48.51,;-.23,-47.19,;-1.06,-45.46,;.03,-46.54,;1.51,-46.14,;1.9,-44.65,;.8,-43.57,;-.68,-43.98,;-5.12,-43,)|
Structure:
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