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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 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	CHEMBL1357034
Molecular formula	C20H23N5O3S2
IUPAC name	1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
Molecular weight	445.556
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	2.7
Synonyms	Z79380012 1-{5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}-N-(4-sulfamoylphenyl)piperidine-4-carboxamide MCULE-3003439188 AKOS034588715 SMR001240658 ZINC9463222 MLS002158182 BDBM50174737 VU0473619-1 HMS3047F10 879303-54-5 MolPort-005-812-732 [ Show all ]
Inchi Key	CBQRSKMWUASQDA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H23N5O3S2/c1-12-13(2)29-20-17(12)18(22-11-23-20)25-9-7-14(8-10-25)19(26)24-15-3-5-16(6-4-15)30(21,27)28/h3-6,11,14H,7-10H2,1-2H3,(H,24,26)(H2,21,27,28)
PubChem CID	16309462
ChEMBL	CHEMBL1357034
IUPHAR	N/A
BindingDB	50174737
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
%max	76.0 %	PMID27185330	ChEMBL
EC50	410.0 nM	PMID27185330	BindingDB,ChEMBL
EC50	1202.0 nM	PMID27185330	BindingDB
EC50	1202.26 nM	PMID27185330	ChEMBL

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