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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Muscarinic acetylcholine receptor M2
Species	Rattus norvegicus (Rat)
Gene	Chrm2
Synonym	cholinergic receptor cholinergic receptor, muscarinic 2 AChR M2 Chrm-2 M2 muscarinic acetylcholine receptor M2 receptor cholinergic receptor, muscarinic 2, cardiac [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MNNSTNSSNNGLAITSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKEKKEPVANQDPVSPSLVQGRIVKPNNNNMPGGDGGLEHNKIQNGKAPRDGVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSRDDNSKQTCIKIVTKAQKGDVCTPTSTTVELVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProt	P10980
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL309
IUPHAR	14
DrugBank	N/A

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	NSC32865 SMR000058584 TL 457 NCGC00093705-04 CHEBI:3385 2-carbamoyloxyethyl(trimethyl)ammonium chloride 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 NCGC00260928-01 Pharmakon1600-01500158 SR-01000075312-1 Tox21_500243 Moryl 2-(carbamoyloxy)-N,N,N-trimethylethan-1-aminium chloride Choline carbamate chloride 2-[(aminocarbonyl)oxy]-N,N,N-trimethylethanaminium chloride 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 NSC-32865 SBB057998 ST51007309 WLN: ZVO2K1&1&1 &Q &G NCGC00093705-02 CB 2-(trimethylazaniumyl)ethyl carbamate chloride Choline chloride, carbamoyl- 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 NSC755919 SPECTRUM1500158 Tox21_112029 MLS002153502 NCGC00093705-05 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium chloride 2-carbamoyloxyethyl(trimethyl)azanium chloride 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 NE31544 Prestwick_1036 SR-01000075312-3 UNII-8Y164V895Y NCGC00015237-07 2-(carbamoyloxy)-N,N,N-trimethylethanaminium chloride Choline chloride carbamate 31325-EP2274983A1 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 NSC-755919 SCHEMBL2791 SW197107-3 Z1551429748 NCGC00093705-03 CCG-38913 2-aminocarbonyloxyethyl(trimethyl)azanium chloride Choline chlorine carbamate 31325-EP2289483A1 D00524 8Y164V895Y DSSTox_RID_76703 C 4382 FT-0623453 Carbachol hydrochloride HMS3372G03 Carbacholine Karbachol Carbacol LP00243 Carbamiotin Carbastat intraocular P. V. Carbachol SR-01000075312 Tox21_112029_1 MolPort-003-666-136 NCGC00163219-01 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminum chloride CHEMBL14 2-carbamoyloxyethyl(trimethyl)azanium;chloride 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 NSC 32865 Rilentol SR-01000075312-6 Vasoperif NCGC00093705-01 CAS-51-83-2 2-(trimethylamino)ethyl aminooate, chloride Choline chloride, carbamate 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 [ 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
ED50	<170.0 umol.kg-1	PMID7990109	ChEMBL
ED50	90.0 umol.kg-1	PMID7990109	ChEMBL
ED50	120.0 umol.kg-1	PMID7990109	ChEMBL
IC50	34.0 nM	PMID10354408	ChEMBL
IC50	130.0 nM	PMID9622546	ChEMBL
IC50	3100.0 nM	PMID9622546	ChEMBL
IC50	18900.0 nM	Bioorg. Med. Chem. Lett., (1991) 1:3:147	ChEMBL
K app	1.9 uM	PMID3585909	ChEMBL
Ki	4.0 nM	PMID8246221	ChEMBL
Ki	20.0 nM	PMID9622546	ChEMBL
Ki	2300.0 nM	PMID8246221	ChEMBL
Ki	5000.0 nM	PMID8246221	ChEMBL
Ki	160000.0 nM	PMID8246221	ChEMBL
Ratio	2.6 -	PMID2258905	ChEMBL
Ratio	1220.0 -	PMID8246221	ChEMBL

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