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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	4-Diphenylacetoxy-1,1-dimethylpiperidinium
Molecular formula	C21H26NO2+
IUPAC name	(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate
Molecular weight	324.444
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.0
Synonyms	AC1Q60WY CHEMBL76897 LS-177624 NCGC00163244-01 4-Damp methobromide C21H26NO2 DTXSID70231086 NCGC00015304-02 ZINC2555356 81405-11-0 Lopac-D-104 NCGC00024611-01 4-(2,2-diphenylacetoxy)-1,1-dimethylpiperidinium Acetic acid 4-[(4-acetoxy-phenyl)-pyridin-2-yl-methyl]-phenyl ester CTK3E9884 N,N-dimethyl-4-(diphenylacetoxy)piperidinium SCHEMBL2730650 (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-di(phenyl)acetate 4-DAMP(1+) CCG-204500 GTPL307 NCGC00015304-03 1952-15-4 (iodide) 4-[(diphenylacetyl)oxy]-1,1-dimethylpiperidinium AC1L1C4C CHEMBL168067 Lopac0_000407 NCGC00024611-02 4-(Diphenylacetoxy)-1,1-dimethylpiperidinium BDBM50176065 D0A2KT NCGC00015304-01 Tocris-0482 (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate 4-Diphenylacetoxy-1,1-dimethyl-piperidinium; iodide CHEBI:73467 L023947 NCGC00015304-04 [ Show all ]
Inchi Key	HYJRTXSYDAFGJK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
PubChem CID	1734
ChEMBL	CHEMBL168067
IUPHAR	307
BindingDB	50176065
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.88 nM	PMID2746503	BindingDB
Ki	3.8 nM	PMID1994002	BindingDB
Ki	3.80189 nM	PMID1994002	PDSP
Ki	3.98107 nM	PMID8016895	PDSP
Ki	4.7 nM	PMID9454790	PDSP
Ki	5.01187 nM	PMID9454790	IUPHAR

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