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Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50354569
Substrate
n/a
Meas. Tech.
ChEMBL_771725 (CHEMBL1838343)
Ki
2.5±n/a nM
Citation
 Osborne, R; Clarke, N; Glossop, P; Kenyon, A; Liu, H; Patel, S; Summerhill, S; Jones, LH Efficient conversion of a nonselective norepinephrin reuptake inhibitor into a dual muscarinic antagonist-ß2-agonist for the treatment of chronic obstructive pulmonary disease. J Med Chem 54:6998-7002 (2011) [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:
BDBM50354569
Synonyms:
CHEMBL1836646
Type:
Small organic molecule
Emp. Form.:
C18H22FN3O2
Mol. Mass.:
331.3846
SMILES:
Oc1cccc(F)c1-n1nc(OC2CCNCC2)c2CCCCc12 |(36.87,1.24,;36.09,2.57,;36.85,3.91,;36.07,5.24,;34.52,5.22,;33.77,3.88,;32.23,3.86,;34.56,2.56,;33.8,1.22,;34.71,-.02,;33.8,-1.27,;34.59,-2.59,;36.13,-2.57,;36.91,-3.9,;38.44,-3.88,;39.2,-2.54,;38.41,-1.22,;36.87,-1.23,;32.33,-.8,;31,-1.58,;29.67,-.81,;29.67,.74,;31,1.51,;32.33,.75,)|
Structure:
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