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GLASS

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GPCR

Name	Muscarinic acetylcholine receptor M4
Species	Homo sapiens (Human)
Gene	CHRM4
Synonym	HM3 M4 receptor cholinergic receptor Chrm-4 cholinergic receptor, muscarinic 4
Disease	Produce mydriasis and cycloplegia for diagnostic purposes Hypertension Irritable bowel syndrome Moderate and severe psychomotor agitation Mydriasis diagnosis Nausea; Vomiting; Emesis Organophosphate poisoning Overactive bladder disorder; Spasm Parkinson's disease Urinary retention Peptic ulcer Peptic ulcer disease; Irritable bowel syndrome; Pancreatitis; Gastritis Solid tumours Peptic ulcer; Gastrointestinal disease Peptic ulcer; Uveitis Glaucoma Gastrointestinal disease Bronchodilator Poison intoxication Chronic obstructive pulmonary disease Cough Central and peripheral nervous diseases Depression Alzheimer disease Dysuria; Urgency; Nocturia; Suprapubic pain Gastric motility disorder; Spasm Acquired nystagmus [ Show all ]
Length	479
Amino acid sequence	MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKQSVKKPPPGEAAREELRNGKLEEAPPPALPPPPRPVADKDTSNESSSGSATQNTKERPATELSTTEATTPAMPAPPLQPRALNPASRWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPDTVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProt	P08173
Protein Data Bank	5dsg
GPCR-HGmod model	P08173
3D structure model	This structure is from PDB ID 5dsg.
BioLiP	BL0339919,BL0339921, BL0339920
Therapeutic Target Database	T20709, T50918
ChEMBL	CHEMBL1821
IUPHAR	16
DrugBank	BE0000405

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	Lopac-D-104 NCGC00024611-01 4-(2,2-diphenylacetoxy)-1,1-dimethylpiperidinium 81405-11-0 CTK3E9884 N,N-dimethyl-4-(diphenylacetoxy)piperidinium SCHEMBL2730650 (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 CCG-204500 GTPL307 NCGC00015304-03 1952-15-4 (iodide) 4-[(diphenylacetyl)oxy]-1,1-dimethylpiperidinium CHEMBL168067 Lopac0_000407 NCGC00024611-02 4-(Diphenylacetoxy)-1,1-dimethylpiperidinium AC1L1C4C 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 CHEMBL76897 LS-177624 NCGC00163244-01 4-Damp methobromide AC1Q60WY C21H26NO2 DTXSID70231086 NCGC00015304-02 ZINC2555356 [ 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
IC50	4.9 nM	PMID26988801, PMID27876250	BindingDB
Ki	0.512861 nM	N/A	BindingDB
Ki	0.58 nM	PMID9834968	BindingDB
Ki	0.88 nM	PMID24805037	BindingDB
Ki	1.17 nM	PMID1994002	BindingDB
Ki	1.1749 nM	PMID1994002	PDSP
Ki	1.25893 nM	PMID1994002	IUPHAR
Ki	1.25893 nM	PMID8016895	PDSP
Ki	1.69 nM	PMID9834968	BindingDB

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