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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	JTTPGMRULUVVEK-UHFFFAOYSA-N
Molecular formula	C13H20N2O3
IUPAC name	4-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-4-oxobutanoic acid
Molecular weight	252.314
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	-2.5
Synonyms	4-(Methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoic acid # SCHEMBL9452418 N-Methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-3-carboxypropanamide 4-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-4-oxobutanoic acid ZINC27856729 CHEMBL162477 3-Carboxypropionamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]- N-Methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]succinamidic acid AC1LB45O [ Show all ]
Inchi Key	JTTPGMRULUVVEK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H20N2O3/c1-14(12(16)6-7-13(17)18)8-2-3-9-15-10-4-5-11-15/h4-11H2,1H3,(H,17,18)
PubChem CID	551031
ChEMBL	CHEMBL162477
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	>1.0 %	PMID2153827	ChEMBL
Affinity	6.0 %	PMID2153827	ChEMBL

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