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GLASS

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GPCR

Name	Muscarinic acetylcholine receptor M3
Species	Homo sapiens (Human)
Gene	CHRM3
Synonym	cholinergic receptor cholinergic receptor, muscarinic 3 cholinergic receptor, muscarinic 3, cardiac Chrm-3 HM4 M3 receptor M3R [ Show all ]
Disease	Urinary incontinence Overactive bladder Overactive bladder disorder Postoperative nausea and vomiting Respiratory disease Glaucoma Diagnosing bronchial hyperreactivity Chronic obstructive pulmonary disease Seborrhea Sjogren's syndrome Spasms; Pain Unspecified Alzheimer disease Obstructive lung diseases [ Show all ]
Length	590
Amino acid sequence	MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
UniProt	P20309
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T67684
ChEMBL	CHEMBL245
IUPHAR	15
DrugBank	BE0000045

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	AB00053795-08 Spectrum3_000324 BPBio1_001055 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 SBI-0050231.P004 AC1L1DXK Spectrum_000094 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 54Z8M50D6Q SPBio_002880 BC224240 ZINC3079342 Carbachol hydrochloride Carbastat CHEMBL14 DivK1c_000725 Karbamoylcholin chlorid Lentine MolPort-005-942-293 2-(carbamoyloxy)-N,N,N-trimethylethanaminium NINDS_000725 AB00053795_09 Spectrum4_000261 BSPBio_000959 Carbacolo Carboptic Choline chloride carbamate GTPL298 KBio2_003082 LS-185872 (2-Carbamoyloxy-ethyl)-trimethyl-ammonium NCGC00015237-03 2-carbamoyloxyethyl-trimethylazanium Prestwick2_000880 SCHEMBL2792 AC1Q65QH STL371210 C-1770 CCE CTK1D5875 Isopto Carbachol (TN) KBioGR_000722 Miostat 1uv6 NCGC00162103-01 462-58-8 AB00053795 Spectrum2_000114 BDBM50004656 Carbachol USP27 Carbastat (TN) DTXSID0048397 KBio1_000725 Lopac-C-4382 NCGC00015237-01 2-carbamoyloxyethyl(trimethyl)azanium Prestwick0_000880 Prestwick3_000880 AB00053795_10 Spectrum5_000934 BSPBio_001927 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 SPBio_000128 AKOS025247582 UNII-54Z8M50D6Q Carbachol (JAN/USP/INN) carbamylcholinechloride CCG-204338 D0U7BW Karbachol KBioSS_000514 Miostat (TN) 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium NCGC00163219-01 [ 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	70.0 nM	PMID3712371	BindingDB
EC50	1800.0 nM	PMID7783150	BindingDB
EC50	1900.0 nM	PMID20716489	BindingDB
EC50	10600.0 nM	N/A	BindingDB
EC50	15000.0 nM	PMID22329602	BindingDB
IC50	880.0 nM	PMID9873472	BindingDB
IC50	9100.0 nM	PMID9435896	BindingDB
Ki	<10000.0 nM	PMID12235229	BindingDB
Ki	20000.0 nM	PMID12747793	BindingDB
Ki	39810.7 - 100000.0 nM	PMID12235229, PMID9224827, PMID10323594	IUPHAR
Ki	43651.6 nM	PMID18543900, PMID19896386	BindingDB
Ki	43652.0 nM	PMID24980056, PMID18077164	BindingDB

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