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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Muscarinic acetylcholine receptor M4
Species	Rattus norvegicus (Rat)
Gene	Chrm4
Synonym	cholinergic receptor cholinergic receptor, muscarinic 4 Chrm-4 HM3 M4 receptor
Disease	N/A for non-human GPCRs
Length	478
Amino acid sequence	MXNFTPVNGSSANQSVRLVTAAHNHLETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLGCADLIIGAFSMNLYTLYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKPSIKKPPPGGASREELRNGKLEEAPPPALPPPPRPVPDKDTSNESSSGSATQNTKERPPTELSTAEATTPALPAPTLQPRTLNPASKWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPERVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProt	P08485
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	CHEMBL317
IUPHAR	16
DrugBank	N/A

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	CHEBI:73467 L023947 NCGC00015304-04 4-Damp methobromide AC1Q60WY CHEMBL76897 LS-177624 NCGC00163244-01 C21H26NO2 DTXSID70231086 NCGC00015304-02 ZINC2555356 4-(2,2-diphenylacetoxy)-1,1-dimethylpiperidinium 81405-11-0 Lopac-D-104 NCGC00024611-01 (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-di(phenyl)acetate 4-DAMP(1+) Acetic acid 4-[(4-acetoxy-phenyl)-pyridin-2-yl-methyl]-phenyl ester CTK3E9884 N,N-dimethyl-4-(diphenylacetoxy)piperidinium SCHEMBL2730650 1952-15-4 (iodide) 4-[(diphenylacetyl)oxy]-1,1-dimethylpiperidinium CCG-204500 GTPL307 NCGC00015304-03 4-(Diphenylacetoxy)-1,1-dimethylpiperidinium AC1L1C4C CHEMBL168067 Lopac0_000407 NCGC00024611-02 (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate 4-Diphenylacetoxy-1,1-dimethyl-piperidinium; iodide BDBM50176065 D0A2KT NCGC00015304-01 Tocris-0482 [ 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	0.512861 nM	N/A	BindingDB
Ki	0.794328 nM	PMID1325587	IUPHAR
Ki	1.4 nM	PMID1646322	BindingDB
Ki	5.2 nM	PMID2385234	BindingDB
Ki	5.6 nM	PMID2385234	BindingDB

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