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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	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	NCGC00093705-04 NSC32865 SMR000058584 TL 457 Choline, chloride carbamate(ester) 31325-EP2305672A1 Doryl 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% Carbocholine 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminum chloride CHEMBL14 2-carbamoyloxyethyl(trimethyl)azanium;chloride Moryl NCGC00260928-01 Pharmakon1600-01500158 SR-01000075312-1 Tox21_500243 31325-EP2277875A2 Coletyl 31325-EP2311817A1 DSSTox_CID_2730 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 (2-Hydroxyethyl)trimethyl ammonium chloride carbamate CAS-51-83-2 2-(trimethylamino)ethyl aminooate, chloride Choline chloride, carbamate NCGC00093705-02 NSC-32865 SBB057998 ST51007309 WLN: ZVO2K1&1&1 &Q &G Choline, carbamate 31325-EP2299326A1 A828807 DTXSID9022730 C-1770 gamma-Carbamoyl choline chloride Carbachol [INN:BAN:JAN] HMS3714P21 Carbacholine chloride Karbachol [Czech] Carbacol [INN-Spanish] LS-53194 Carbamoylcholine (chloride) Carbochol .gamma.-Carbamoyl choline chloride CHEBI:3385 2-carbamoyloxyethyl(trimethyl)ammonium chloride MLS002153502 NCGC00093705-05 NSC755919 SPECTRUM1500158 Tox21_112029 Choline, chloride, carbamate 31325-EP2308858A1 Doryl (pharmaceutical) 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 (2-Carbamoyloxy-ethyl)-trimethyl-ammonium(Carbachol) Carbyl 2-(carbamoyloxy)-N,N,N-trimethylethan-1-aminium chloride Choline carbamate chloride 2-[(aminocarbonyl)oxy]-N,N,N-trimethylethanaminium chloride NCGC00015237-07 NE31544 Prestwick_1036 SR-01000075312-3 UNII-8Y164V895Y 31325-EP2284157A1 CS-4836 51-83-2 DSSTox_GSID_22730 B7196 EU-0100243 CARBACHOL CHLORIDE HMS3260B08 Carbacholin Jestryl Carbacholum [INN-Latin] Lentine [French] Carbaminoylcholine chloride Carbamylcholine chloride, 99% (2-Hydroxyethyl)trimethylammonium chloride carbamate CB 2-(trimethylazaniumyl)ethyl carbamate chloride Choline chloride, carbamoyl- NCGC00093705-03 NSC-755919 SCHEMBL2791 SW197107-3 Z1551429748 Choline, carbamate, hydrochloride 31325-EP2305652A2 DB00411 AC1L1L8K EINECS 200-127-3 C0596 HMS1570P21 Carbachol [USP:INN:BAN:JAN] HMS502E07 Carbacholini chloridum Karbamoylcholin chlorid Carbacolina MCULE-9644162883 Carbamoylcholine chloride Carbocholin 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium chloride 2-carbamoyloxyethyl(trimethyl)azanium chloride MolPort-003-666-136 NCGC00163219-01 P. V. Carbachol SR-01000075312 Tox21_112029_1 Choline, chloride, carbamate, hydrochloride 31325-EP2311816A1 Doryl (VAN) 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 (2-Carbamoyloxyethyl)trimethylammonium chloride Carcholin 2-(carbamoyloxy)-N,N,N-trimethylethanaminium chloride Choline chloride carbamate 31325-EP2274983A1 NCGC00093705-01 NSC 32865 Rilentol SR-01000075312-6 Vasoperif 31325-EP2289483A1 D00524 8Y164V895Y DSSTox_RID_76703 C 4382 FT-0623453 Carbachol hydrochloride HMS3372G03 Carbacholine Karbachol Carbacol LP00243 Carbamiotin Carbastat intraocular CCG-38913 2-aminocarbonyloxyethyl(trimethyl)azanium chloride Choline chlorine carbamate [ 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	15.9 /s	PMID20716489	ChEMBL
Activity	350.0 %	PMID13678406	ChEMBL
CCh	100.0 %	Bioorg. Med. Chem. Lett., (1992) 2:8:821	ChEMBL
EC50	70.0 nM	PMID3712371	ChEMBL
EC50	1800.0 nM	PMID7783150	ChEMBL
EC50	1819.7 nM	PMID17084634	ChEMBL
EC50	1900.0 nM	PMID20716489	ChEMBL
EC50	5011.87 nM	PMID17149881	ChEMBL
EC50	10600.0 nM	Bioorg. Med. Chem. Lett., (1992) 2:8:821	ChEMBL
EC50	15000.0 nM	PMID22329602	ChEMBL
EC50	5.01187e+13 nM	PMID13678406	ChEMBL
ED50	2.5 uM	PMID9651157	ChEMBL
ED50	100.0 nM	PMID9651157	ChEMBL
IC50	880.0 nM	PMID9873472	ChEMBL
IC50	9100.0 nM	PMID9435896	ChEMBL
Inhibition	4.0 %	PMID10891110	ChEMBL
Inhibition	16.0 %	PMID9622546	ChEMBL
Intrinsic activity	1.0 -	PMID17084634	ChEMBL
Ki	<10000.0 nM	PMID12235229	PDSP
Ki	20.0 nM	PMID12747793	PDSP
Ki	6309.57 nM	PMID17149881, PMID13678406	ChEMBL
Ki	20000.0 nM	PMID12747793	ChEMBL
Ki	43651.6 nM	PMID24980056, PMID18543900, PMID19896386, PMID16539379, PMID18077164	ChEMBL
PI	100.0 %	Bioorg. Med. Chem. Lett., (1995) 5:6:631	ChEMBL
Stimulation	100.0 %	PMID9651157	ChEMBL
TIME	1.742e-05 hr	PMID20716489	ChEMBL

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