Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50538209
Substrate
n/a
Meas. Tech.
ChEMBL_1972409 (CHEMBL4605227)
Ki
0.530000±n/a nM
Citation
 Fischer, O; Hofmann, J; Rampp, H; Kaindl, J; Pratsch, G; Bartuschat, A; Taudte, RV; Fromm, MF; Hübner, H; Gmeiner, P; Heinrich, MR Regiospecific Introduction of Halogens on the 2-Aminobiphenyl Subunit Leading to Highly Potent and Selective M3 Muscarinic Acetylcholine Receptor Antagonists and Weak Inverse Agonists. J Med Chem 63:4349-4369 (2020) [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:
BDBM50538209
Synonyms:
CHEMBL4643867
Type:
Small organic molecule
Emp. Form.:
C20H19Cl2FN2O2
Mol. Mass.:
409.281
SMILES:
Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccc(Cl)c(Cl)c1 |r,wU:9.8,(34.72,-25.63,;34.72,-24.12,;36.06,-23.35,;36.06,-21.8,;34.72,-21.03,;34.71,-19.49,;36.05,-18.72,;36.05,-17.18,;37.38,-19.48,;38.72,-18.71,;38.71,-17.18,;40.05,-16.4,;41.39,-17.17,;41.39,-18.72,;40.05,-19.48,;40.53,-18.3,;39.54,-17.9,;33.39,-21.8,;33.39,-23.35,;32.06,-21.03,;30.74,-21.8,;29.4,-21.04,;29.39,-19.49,;28.09,-18.74,;30.73,-18.72,;30.74,-17.21,;32.06,-19.49,)|
Structure:
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