Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50595408
Substrate
n/a
Meas. Tech.
ChEMBL_2216667 (CHEMBL5129799)
Ki
1.6±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:
BDBM50595408
Synonyms:
CHEMBL5195203
Type:
Small organic molecule
Emp. Form.:
C30H32N2O5
Mol. Mass.:
500.5855
SMILES:
COC(=O)c1ccc(COc2cccc(c2)C(NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1 |r,wD:21.21,(-11.34,-1.54,;-10,-.77,;-8.67,-1.54,;-8.67,-3.08,;-7.34,-.77,;-6,-1.54,;-4.67,-.77,;-4.67,.77,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;.67,3.85,;2,3.08,;2,1.54,;.67,.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,1.54,;8.67,.77,;8.67,-.77,;10,-1.54,;11.34,-.77,;11.34,.77,;10,1.54,;10.71,.31,;9.29,-.31,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;2,-1.54,;-6,1.54,;-7.34,.77,)|
Structure:
Search PDB for entries with ligand similarity: