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Target
Muscarinic acetylcholine receptor M4
Ligand
BDBM50557935
Substrate
n/a
Meas. Tech.
ChEMBL_2060791 (CHEMBL4716044)
Ki
0.977237±n/a nM
Citation
 Gruber, CG; Pegoli, A; Müller, C; Grätz, L; She, X; Keller, M Differently fluorescence-labelled dibenzodiazepinone-type muscarinic acetylcholine receptor ligands with high M RSC Med Chem 11:823-832 (2020) [PubMed]  Article 
Target
Name:
Muscarinic acetylcholine receptor M4
Synonyms:
ACM4_HUMAN | CHRM4 | Cholinergic, muscarinic M4 | Muscarinic acetylcholine receptor | Muscarinic acetylcholine receptor M2 and M4
Type:
Enzyme Catalytic Domain
Mol. Mass.:
53079.31
Organism:
Homo sapiens (Human)
Description:
Cholinergic, muscarinic M4 CHRM4 HUMAN M3::P08173
Residue:
479
Sequence:
MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKQSVKKPPPGEAAREELRNGKLEEAPPPALPPPPRPVADKDTSNESSSGSATQNTKERPATELSTTEATTPAMPAPPLQPRALNPASRWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPDTVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
  
Inhibitor
Name:
BDBM50557935
Synonyms:
CHEMBL4756833
Type:
Small organic molecule
Emp. Form.:
C61H65F9N8O12
Mol. Mass.:
1273.2008
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c3ccc(cc3oc2c1)=[N+](C)C |(23.6,-21.33,;22.26,-20.56,;22.26,-19.02,;20.92,-21.33,;19.58,-20.56,;20.92,-22.88,;19.58,-22.1,;29.3,-11.33,;27.96,-10.56,;27.96,-9.01,;26.63,-11.33,;25.29,-10.56,;26.63,-12.87,;25.28,-12.09,;30.23,-17.55,;28.9,-16.78,;28.9,-15.24,;27.56,-17.55,;26.22,-16.78,;27.56,-19.1,;26.21,-18.32,;23.52,-4.8,;21.98,-4.8,;21.2,-3.47,;21.2,-6.14,;19.66,-6.14,;18.9,-7.48,;19.66,-8.8,;18.88,-10.13,;17.34,-10.11,;16.58,-8.76,;15.03,-8.75,;14.26,-10.09,;15.02,-11.44,;16.56,-11.44,;17.33,-12.78,;16.55,-14.1,;18.65,-13.54,;12.71,-10.08,;11.93,-11.41,;11.94,-8.74,;12.73,-7.4,;11.96,-6.06,;10.42,-6.05,;9.65,-4.72,;8.12,-4.71,;7.34,-6.03,;5.8,-6.02,;5.03,-7.35,;5.78,-8.68,;5.01,-10.01,;5.76,-11.35,;4.99,-12.67,;5.74,-14,;7.28,-14.02,;8.03,-15.36,;9.57,-15.38,;10.35,-14.05,;10.32,-16.72,;9.45,-17.98,;7.96,-17.63,;6.91,-18.74,;7.35,-20.21,;8.84,-20.56,;9.88,-19.45,;11.31,-20.02,;12.65,-19.27,;13.91,-20.15,;12.89,-17.75,;14.39,-17.42,;14.85,-15.94,;13.8,-14.81,;12.3,-15.15,;11.84,-16.62,;8.06,-12.69,;7.3,-11.35,;8.1,-7.37,;9.64,-7.38,;19.64,-11.47,;18.86,-12.8,;19.62,-14.13,;21.17,-14.14,;21.95,-12.82,;21.19,-11.48,;21.98,-10.15,;21.2,-8.81,;21.98,-7.47,;21.94,-15.48,;21.16,-16.82,;23.49,-15.49,)|
Structure:
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