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GPCR

Name	Muscarinic acetylcholine receptor M4
Species	Homo sapiens (Human)
Gene	CHRM4
Synonym	HM3 M4 receptor cholinergic receptor Chrm-4 cholinergic receptor, muscarinic 4
Disease	Produce mydriasis and cycloplegia for diagnostic purposes Hypertension Irritable bowel syndrome Moderate and severe psychomotor agitation Mydriasis diagnosis Nausea; Vomiting; Emesis Organophosphate poisoning Overactive bladder disorder; Spasm Parkinson's disease Urinary retention Peptic ulcer Peptic ulcer disease; Irritable bowel syndrome; Pancreatitis; Gastritis Solid tumours Peptic ulcer; Gastrointestinal disease Peptic ulcer; Uveitis Glaucoma Gastrointestinal disease Bronchodilator Poison intoxication Chronic obstructive pulmonary disease Cough Central and peripheral nervous diseases Depression Alzheimer disease Dysuria; Urgency; Nocturia; Suprapubic pain Gastric motility disorder; Spasm Acquired nystagmus [ Show all ]
Length	479
Amino acid sequence	MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKQSVKKPPPGEAAREELRNGKLEEAPPPALPPPPRPVADKDTSNESSSGSATQNTKERPATELSTTEATTPAMPAPPLQPRALNPASRWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPDTVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProt	P08173
Protein Data Bank	5dsg
GPCR-HGmod model	P08173
3D structure model	This structure is from PDB ID 5dsg.
BioLiP	BL0339919,BL0339921, BL0339920
Therapeutic Target Database	T20709, T50918
ChEMBL	CHEMBL1821
IUPHAR	16
DrugBank	BE0000405

Ligand

Name	UNII-JO67EL43YO
Molecular formula	C14H18ClN2O2+
IUPAC name	4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium
Molecular weight	281.76
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.7
Synonyms	(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium ion 7614-29-1 DTXSID70226997 NCGC00015261-03 [4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride 4-(3-chlorophenylcarbamoyloxy)-N,N,N-trimethylbut-2-yn-1-aminium BDBM50006584 Lopac0_000277 NCGC00162115-02 (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium 4-[N-(3-chlorophenyl)carbamoyloxy]-2-butynyltrimethylammonium chloride CHEMBL40554 NCGC00015261-01 (McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride AC1L1H8K JO67EL43YO NCGC00015261-04 [4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride (McN-A-343) 4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium CCG-204372 LS-187102 NCGC00163255-01 (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium cation CHEMBL74300 NCGC00015261-02 ZINC2041362 4-((3-chlorophenyl)carbamoyloxy)-N,N,N-trimethylbut-2-yn-1-aminium chloride Ammonium, (4-hydroxy-2-butynyl)trimethyl-, m-chlorocarbanilate (ester) Lopac-C-7041 NCGC00162115-01 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium N,N,N-Trimethyl-4-[N-(3-chlorophenyl)aminocarbonyloxy]-2-butyn-1-aminium Pyrrolidinium, 1-((3S)-3-cycloh2-butyn-1-aminium, 4-((((3-chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl- [ Show all ]
Inchi Key	DDKOMKXCUXCQBS-UHFFFAOYSA-O
Inchi ID	InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
PubChem CID	4022
ChEMBL	CHEMBL40554
IUPHAR	N/A
BindingDB	50006584
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	9120.0 nM	PMID24980056	BindingDB
Ki	9120.11 nM	PMID18543900, PMID19896386	BindingDB,ChEMBL

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