Reaction Details
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Report a problem with these dataTarget
Muscarinic acetylcholine receptor M4
Ligand
BDBM50502361
Substrate
n/a
Meas. Tech.
ChEMBL_1807450 (CHEMBL4306809)
EC50
3.0±n/a nM
Citation
Yang, Q; Lachapelle, EA; Kablaoui, NM; Webb, D; Popiolek, M; Grimwood, S; Kozak, R; O'Connor, RE; Lazzaro, JT; Butler, CR; Zhang, L Discovery of Selective M4 Muscarinic Acetylcholine Receptor Agonists with Novel Carbamate Isosteres. ACS Med Chem Lett 10:941-948 (2019) [PubMed] Article More Info.:
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:
BDBM50502361
Synonyms:
CHEMBL4583597
Type:
Small organic molecule
Emp. Form.:
C24H30N4O2
Mol. Mass.:
406.5206
SMILES:
[H][C@@]12CN(C[C@]1([H])[C@@H]2c1nccn1-c1ccccc1)C1CC2(C1)CCN(C2)C(=O)OCC |r,wU:7.9,wD:5.6,1.0,(35.13,-24.49,;36.66,-24.63,;36.14,-26.08,;37.36,-27.02,;38.63,-26.15,;38.19,-24.66,;39.73,-24.57,;37.46,-23.32,;37.49,-21.78,;38.75,-20.91,;38.31,-19.43,;36.77,-19.4,;36.26,-20.85,;34.79,-21.3,;33.66,-20.24,;32.19,-20.68,;31.84,-22.18,;32.97,-23.24,;34.44,-22.79,;37.32,-28.56,;36.19,-29.61,;37.24,-30.73,;38.37,-29.67,;38.37,-31.77,;37.74,-33.18,;36.21,-33.01,;35.9,-31.5,;35.17,-34.14,;35.64,-35.61,;33.67,-33.81,;32.63,-34.96,;31.13,-34.63,)|
Structure:
