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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	Homo sapiens (Human)
Gene	CHRM2
Synonym	cholinergic receptor AChR M2 M2 muscarinic acetylcholine receptor M2 receptor Chrm-2 cholinergic receptor, muscarinic 2, cardiac cholinergic receptor, muscarinic 2 [ Show all ]
Disease	Urinary incontinence Heart failure Nausea; Addiction Parkinson's disease Peptic ulcer Stabilize muscle contractions Unspecified Cardiovascular disorder Asthma Alzheimer disease [ Show all ]
Length	466
Amino acid sequence	MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRIVKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIRIGTKTPKSDSCTPTNTTVEVVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProt	P08172
Protein Data Bank	5zkc, 4mqs, 4mqt, 5yc8, 5zk3, 5zkb, 5zk8
GPCR-HGmod model	P08172
3D structure model	This structure is from PDB ID 5zkc.
BioLiP	BL0433341, BL0433216, BL0263147, BL0263146, BL0263145, BL0433339, BL0433340, BL0433338
Therapeutic Target Database	T46185
ChEMBL	CHEMBL211
IUPHAR	14
DrugBank	BE0000560

Ligand

Name	McN-A-343
Molecular formula	C14H18Cl2N2O2
IUPAC name	4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium;chloride
Molecular weight	317.21
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	None
Synonyms	55-45-8 Butyl-1-aminium, 4-((((3-chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl-, chloride DTXSID80203532 MCN A-343 NCGC00260962-01 2-Butyn-1-aminium, 4-((((3-chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl-, chloride 4-(N-[3-CHLOROPHENYL]-CARBAMOYLOXY)-2-BUTYNYLTRIMETHYLAMMONIUM CHLORIDE AC1Q1S2A CCG-221581 HMS2235M19 SR-01000075310 4-[[[(3-Chlorophenyl)amino]carbonyl]oxy]-N,N,N-trimethyl-2-butyn-1-aminium chloride API0006795 CW55R761RE LP00277 MolPort-006-822-477 UNII-CW55R761RE (4-Hydroxy-2-butynyl)-1-trimethylammonium-m-chlorocarbanilate chloride A 343 C 7041 EU-0100277 MCN A-343 chloride SCHEMBL2977744 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium chloride AKOS024456563 HMS3260H16 MFCD00055068 SR-01000075310-1 (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride 4-{[(3-chlorophenyl)carbamoyl]oxy}-n,n,n-trimethylbut-2-yn-1-aminium chloride B6715 D02BOW LS-18194 NCGC00093733-01 AC1L1LFI Carbanilic acid, m-chloro-, ester with (4-hydroxy-2-butynyl)trimethylammonium chloride GTPL290 McN-A 343 SMR000058673 4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium Chloride 4-[N-(3-Chlorophenyl)carbamoyloxy]-2--butynyl-trimethyl-ammonium chloride Ammonium, (4-hydroxy-2-butynyl)trimethyl-, chloride, m-chlorocarbanilate CHEMBL74300 HMS3372P11 MLS000859939 Tox21_500277 (4-Hydroxy-2-butynyl)-1-trimethyl-ammonium-3-chloro-carbanilate chloride [ Show all ]
Inchi Key	CXFZFEJJLNLOTA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H17ClN2O2.ClH/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13;/h6-8,11H,9-10H2,1-3H3;1H
PubChem CID	5926
ChEMBL	CHEMBL74300
IUPHAR	290
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
IC50	12930.0 nM	Bioorg. Med. Chem. Lett., (1992) 2:8:821	ChEMBL
Increase	9.5 %	Bioorg. Med. Chem. Lett., (1992) 2:8:839	ChEMBL
Ki	3235.94 nM	PMID24980056, PMID19896386	ChEMBL

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