Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50595416
Substrate
n/a
Meas. Tech.
ChEMBL_2216667 (CHEMBL5129799)
Ki
3.2±n/a nM
Citation
 Carzaniga, L; Linney, ID; Rizzi, A; Delcanale, M; Schmidt, W; Knight, CK; Pastore, F; Miglietta, D; Carnini, C; Cesari, N; Riccardi, B; Mileo, V; Venturi, L; Moretti, E; Blackaby, WP; Patacchini, R; Accetta, A; Biagetti, M; Bassani, F; Tondelli, M; Murgo, A; Battipaglia, L; Villetti, G; Puccini, P; Catinella, S; Civelli, M; Rancati, F Discovery of Clinical Candidate CHF-6366: A Novel Super-soft Dual Pharmacology Muscarinic Antagonist and ? J Med Chem 65:10233-10250 (2022) [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:
BDBM50595416
Synonyms:
CHEMBL5178217
Type:
Small organic molecule
Emp. Form.:
C27H30N4O5
Mol. Mass.:
490.5509
SMILES:
Cn1nc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1C(O)=O |r,wU:12.13,wD:17.17,THB:16:17:20.21:23.24,(-9.99,.25,;-8.45,.25,;-7.42,1.4,;-6.01,.77,;-4.68,1.54,;-3.35,.77,;-2.01,1.54,;-2.01,3.08,;-.68,3.85,;.66,3.08,;.66,1.54,;-.68,.77,;1.99,.77,;3.32,1.54,;4.66,.77,;4.66,-.77,;5.99,1.54,;7.32,.77,;7.32,-.77,;8.66,-1.54,;7.95,-.31,;9.37,.31,;8.66,1.54,;9.99,.77,;9.99,-.77,;1.99,-.77,;3.32,-1.54,;3.32,-3.08,;1.99,-3.85,;.66,-3.08,;.66,-1.54,;-6.17,-.76,;-7.68,-1.08,;-8.31,-2.49,;-9.84,-2.65,;-7.4,-3.73,)|
Structure:
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