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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 M3
Species	Homo sapiens (Human)
Gene	CHRM3
Synonym	cholinergic receptor cholinergic receptor, muscarinic 3 cholinergic receptor, muscarinic 3, cardiac Chrm-3 HM4 M3 receptor M3R [ Show all ]
Disease	Urinary incontinence Overactive bladder Overactive bladder disorder Postoperative nausea and vomiting Respiratory disease Glaucoma Diagnosing bronchial hyperreactivity Chronic obstructive pulmonary disease Seborrhea Sjogren's syndrome Spasms; Pain Unspecified Alzheimer disease Obstructive lung diseases [ Show all ]
Length	590
Amino acid sequence	MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
UniProt	P20309
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T67684
ChEMBL	CHEMBL245
IUPHAR	15
DrugBank	BE0000045

Ligand

Name	CHEMBL1624037
Molecular formula	C18H27N3O3
IUPAC name	ethyl 4-[2-[(2-methylbenzoyl)amino]ethylamino]piperidine-1-carboxylate
Molecular weight	333.432
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.0
Synonyms	ethyl 4-[2-[(2-methylbenzoyl)amino]ethylamino]piperidine-1-carboxylate;hydrochloride 4-[2-(o-toluoylamino)ethylamino]piperidine-1-carboxylic acid ethyl ester;hydrochloride NCGC00386615-02 BDBM43822 cid_25010775 ethyl 4-[2-[(2-methylphenyl)carbonylamino]ethylamino]piperidine-1-carboxylate;hydrochloride 4-[2-[[(2-methylphenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester;hydrochloride ZINC64696513 ethyl 4-(2-(2-methylbenzamido)ethylamino)piperidine-1-carboxylate ML071 [ Show all ]
Inchi Key	ZBSSIYGXZQZYDM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
PubChem CID	25010776
ChEMBL	CHEMBL1624037
IUPHAR	N/A
BindingDB	43822
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<30000.0 nM	PMID21930376	BindingDB,ChEMBL
EC50	360100.0 nM	N/A	BindingDB
Ki	189600.0 nM	N/A	BindingDB

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