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Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50538193
Substrate
n/a
Meas. Tech.
ChEMBL_1972433 (CHEMBL4605251)
Ki
0.470000±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_RAT | Cholinergic, muscarinic M3 | Chrm-3 | Chrm3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
66086.66
Organism:
RAT
Description:
Cholinergic, muscarinic M3 CHRM3 RAT::P08483
Residue:
589
Sequence:
MTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVKRSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQKDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
  
Inhibitor
Name:
BDBM50538193
Synonyms:
CHEMBL4644670
Type:
Small organic molecule
Emp. Form.:
C20H22N2O2
Mol. Mass.:
322.4009
SMILES:
O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:16.17,(15.76,-8.02,;15.77,-9.56,;14.44,-10.33,;14.44,-11.87,;15.78,-12.63,;15.78,-14.18,;14.44,-14.96,;13.11,-14.18,;13.11,-12.64,;11.78,-11.87,;11.78,-10.33,;10.45,-9.56,;9.12,-10.33,;9.12,-11.88,;10.46,-12.64,;17.1,-10.32,;18.44,-9.55,;18.42,-8.01,;19.76,-7.24,;21.1,-8.01,;21.1,-9.55,;19.77,-10.32,;19.1,-8.91,;20.52,-8.56,)|
Structure:
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