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GLASS

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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	Carbamylcholine
Molecular formula	C6H15N2O2+
IUPAC name	2-carbamoyloxyethyl(trimethyl)azanium
Molecular weight	147.198
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	-0.4
Synonyms	Carbachol USP27 Carbastat (TN) DTXSID0048397 KBio1_000725 Lopac-C-4382 NCGC00015237-01 2-carbamoyloxyethyl(trimethyl)azanium Prestwick0_000880 AB00053795 Spectrum2_000114 BDBM50004656 Carbamoylcholine Carboptic (TN) Choline, carbonate (ester) HMS2089I06 KBio2_005650 LS-187126 (2-Carbamoyloxy-ethyl)-trimethyl-ammonium(Carbachol) NCGC00015237-04 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM Prestwick3_000880 AB00053795_10 Spectrum5_000934 BSPBio_001927 Carbachol (JAN/USP/INN) carbamylcholinechloride CCG-204338 D0U7BW Karbachol KBioSS_000514 Miostat (TN) 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium NCGC00163219-01 SPBio_000128 AKOS025247582 UNII-54Z8M50D6Q Carbachol [INN:BAN:JAN] Carbastat intraocular CHEMBL965 Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl- KBio2_000514 Lopac0_000243 NCGC00015237-02 2-carbamoyloxyethyl(trimethyl)azanium chloride Prestwick1_000880 AB00053795-08 Spectrum3_000324 BPBio1_001055 C 4382 CARBAMYL-CHOLINE CAS-51-83-2 Choline, chloride, carbamate IDI1_000725 KBio3_001147 MCULE-5642570831 (carbachol)(2-Carbamoyloxy-ethyl)-trimethyl-ammonium NCGC00015237-05 SBI-0050231.P004 AC1L1DXK Spectrum_000094 Carbachol hydrochloride Carbastat CHEMBL14 DivK1c_000725 Karbamoylcholin chlorid Lentine MolPort-005-942-293 2-(carbamoyloxy)-N,N,N-trimethylethanaminium NINDS_000725 54Z8M50D6Q SPBio_002880 BC224240 ZINC3079342 Carbacolo Carboptic Choline chloride carbamate GTPL298 KBio2_003082 LS-185872 (2-Carbamoyloxy-ethyl)-trimethyl-ammonium NCGC00015237-03 2-carbamoyloxyethyl-trimethylazanium Prestwick2_000880 AB00053795_09 Spectrum4_000261 BSPBio_000959 C-1770 CCE CTK1D5875 Isopto Carbachol (TN) KBioGR_000722 Miostat 1uv6 NCGC00162103-01 462-58-8 SCHEMBL2792 AC1Q65QH STL371210 [ Show all ]
Inchi Key	VPJXQGSRWJZDOB-UHFFFAOYSA-O
Inchi ID	InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
PubChem CID	2551
ChEMBL	CHEMBL965
IUPHAR	298
BindingDB	50004656
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	75.0 nM	PMID7783150	BindingDB
EC50	154.88 nM	PMID25275964	ChEMBL
EC50	155.0 nM	PMID25275964	BindingDB
EC50	290.0 nM	PMID11741475	BindingDB
EC50	2290.87 nM	PMID25275964	ChEMBL
EC50	2291.0 nM	PMID25275964	BindingDB
EC50	6606.93 nM	PMID25275964	ChEMBL
EC50	6607.0 nM	PMID25275964	BindingDB
EC50	60000.0 nM	PMID9651157	BindingDB
IC50	0.4 nM	PMID9873472	BindingDB
IC50	1000.0 nM	PMID13678406	BindingDB
IC50	7200.0 nM	PMID9435896	BindingDB
Ki	24.0 nM	PMID10891110	BindingDB
Ki	1548.81 nM	PMID8968358	BindingDB
Ki	2600.0 nM	PMID10891110, PMID9622546	BindingDB
Ki	6309.57 nM	PMID19896386, PMID18543900	BindingDB
Ki	6310.0 nM	PMID24980056, PMID18077164	BindingDB
Ki	7600.0 nM	PMID12747793	BindingDB
Ki	12589.3 - 50118.7 nM	PMID9224827, PMID10323594	IUPHAR

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