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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	carbachol
Molecular formula	C6H15ClN2O2
IUPAC name	2-carbamoyloxyethyl(trimethyl)azanium;chloride
Molecular weight	182.648
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	None
Synonyms	D00524 ST51007309 8Y164V895Y DSSTox_RID_76703 WLN: ZVO2K1&1&1 &Q &G C 4382 FT-0623453 Carbachol hydrochloride HMS3372G03 Carbacholine Karbachol Carbacol LP00243 Carbamiotin Carbastat intraocular NCGC00093705-02 CCG-38913 NSC-32865 2-aminocarbonyloxyethyl(trimethyl)azanium chloride Choline chlorine carbamate SBB057998 31325-EP2289483A1 31325-EP2305672A1 Doryl Tox21_112029 AC1LAVH8 Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride C6H15N2O2.Cl HMS1920I15 Carbachol, European Pharmacopoeia (EP) Reference Standard HSDB 6373 Carbacholinium chloratum Karbamoylcholin chlorid [Czech] Carbacolo MFCD00012011 Carbamoylcholine chloride, 99% MLS002153502 Carbocholine NCGC00093705-05 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminum chloride CHEMBL14 NSC755919 2-carbamoyloxyethyl(trimethyl)azanium;chloride Choline, chloride carbamate(ester) SPECTRUM1500158 Coletyl SR-01000075312-3 31325-EP2311817A1 DSSTox_CID_2730 UNII-8Y164V895Y AN-41622 Ethanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride (1:1) Carbachol (JAN/USP/INN) HMS2236L04 Carbachol,(S) Isopto Carbachol Carbacholum chloratum Lentine Carbaminocholine chloride Mistura C Carbamylcholine chloride NCGC00015237-07 (2-Hydroxyethyl)trimethyl ammonium chloride carbamate CAS-51-83-2 NE31544 2-(trimethylamino)ethyl aminooate, chloride Choline chloride, carbamate Prestwick_1036 31325-EP2277875A2 31325-EP2299326A1 SW197107-3 A828807 DTXSID9022730 Z1551429748 C-1770 gamma-Carbamoyl choline chloride Carbachol [INN:BAN:JAN] HMS3714P21 Carbacholine chloride Karbachol [Czech] Carbacol [INN-Spanish] LS-53194 Carbamoylcholine (chloride) Carbochol NCGC00093705-03 .gamma.-Carbamoyl choline chloride CHEBI:3385 NSC-755919 2-carbamoyloxyethyl(trimethyl)ammonium chloride Choline, carbamate SCHEMBL2791 SR-01000075312 31325-EP2308858A1 Doryl (pharmaceutical) Tox21_112029_1 AKOS015909565 Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride (1:1) Carbach HMS2091O17 Carbachol, Pharmaceutical Secondary Standard; Certified Reference Material HY-B1208 Carbacholinum KB-48668 Carbacolo [DCIT] Miostat Carbamoylcholine chloride, >=98% (titration), crystalline MolPort-003-666-136 (2-Carbamoyloxy-ethyl)-trimethyl-ammonium(Carbachol) Carbyl NCGC00163219-01 2-(carbamoyloxy)-N,N,N-trimethylethan-1-aminium chloride Choline carbamate chloride P. V. Carbachol 2-[(aminocarbonyl)oxy]-N,N,N-trimethylethanaminium chloride Choline, chloride, carbamate CS-4836 SR-01000075312-6 51-83-2 DSSTox_GSID_22730 Vasoperif B7196 EU-0100243 CARBACHOL CHLORIDE HMS3260B08 Carbacholin Jestryl Carbacholum [INN-Latin] Lentine [French] Carbaminoylcholine chloride Carbamylcholine chloride, 99% NCGC00093705-01 (2-Hydroxyethyl)trimethylammonium chloride carbamate CB NSC 32865 2-(trimethylazaniumyl)ethyl carbamate chloride Choline chloride, carbamoyl- Rilentol 31325-EP2284157A1 31325-EP2305652A2 DB00411 TL 457 AC1L1L8K EINECS 200-127-3 C0596 HMS1570P21 Carbachol [USP:INN:BAN:JAN] HMS502E07 Carbacholini chloridum Karbamoylcholin chlorid Carbacolina MCULE-9644162883 Carbamoylcholine chloride Carbocholin NCGC00093705-04 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium chloride NSC32865 2-carbamoyloxyethyl(trimethyl)azanium chloride Choline, carbamate, hydrochloride SMR000058584 Choline, chloride, carbamate, hydrochloride SR-01000075312-1 31325-EP2311816A1 Doryl (VAN) Tox21_500243 AKOS025149486 Ethanaminium, 2-(aminocarbonyl)oxy-N,N,N-trimethyl-, chloride HMS2097P21 Carbachol, United States Pharmacopeia (USP) Reference Standard I14-31868 Carbacholum Lentin Carbamic acid, ester with choline chloride Miostat (TN) Carbamoylcholine-hydrochloride Moryl (2-Carbamoyloxyethyl)trimethylammonium chloride Carcholin NCGC00260928-01 2-(carbamoyloxy)-N,N,N-trimethylethanaminium chloride Choline chloride carbamate Pharmakon1600-01500158 31325-EP2274983A1 [ Show all ]
Inchi Key	AIXAANGOTKPUOY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H
PubChem CID	5831
ChEMBL	CHEMBL14
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB00411
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Activity	50.0 %	PMID13678406	ChEMBL
EC50	75.0 nM	PMID7783150	ChEMBL
EC50	290.0 nM	PMID11741475	ChEMBL
EC50	3981.07 nM	PMID17084634	ChEMBL
EC50	60000.0 nM	PMID9651157	ChEMBL
ED50	100.0 nM	PMID9651157	ChEMBL
IC50	0.4 nM	PMID9873472	ChEMBL
IC50	50.12 nM	PMID17149881	ChEMBL
IC50	1000.0 nM	PMID13678406	ChEMBL
IC50	7200.0 nM	PMID9435896	ChEMBL
Inhibition	6.3 %	PMID9651157	ChEMBL
Inhibition	60.0 %	Bioorg. Med. Chem. Lett., (1995) 5:6:631	ChEMBL
Intrinsic activity	1.0 -	PMID17084634	ChEMBL
Ki	7.6 nM	PMID12747793	PDSP
Ki	24.0 nM	PMID10891110	ChEMBL
Ki	398.11 nM	PMID17149881, PMID13678406	ChEMBL
Ki	1548.81 nM	PMID8968358	PDSP
Ki	2600.0 nM	PMID9622546, PMID10891110	ChEMBL
Ki	6309.57 nM	PMID19896386, PMID18543900, PMID16539379, PMID18077164, PMID24980056	ChEMBL
Ki	7600.0 nM	PMID12747793	ChEMBL
pD2	5.43 -	PMID16539379, PMID17084634	ChEMBL