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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	Oxotremorine 1
Molecular formula	C11H18N2O
IUPAC name	N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide
Molecular weight	194.278
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	0.3
Synonyms	N-Methyl-N-(4-pyrrolidin-1-yl-but-2-ynyl)-acetamide UH-5 BRN 4247641 N-Methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]acetamide # AC1L2EPH DTXSID90191870 N-(4-pyrrolidino-2-butynyl) -N-methylacetamide SCHEMBL11726909 Acetamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]- N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide UH5;N-Methyl-N-(4-pyrrolidin-1-yl-but-2-ynyl)-acetamide 3854-05-5 Oxo 1 ACETAMIDE, N-METHYL-N-(4-(1-PYRROLIDINYL)-2-BUTYNYL)- HWYHDWGGACRVEH-UHFFFAOYSA-N N-Methyl-N-(4-pyrrolidin-1'-ylbut-2-ynyl)acetamide UH 5 BDBM50009300 N-methyl-N-(4-pyrrolidino-2-butynyl)acetamide CHEMBL11081 LS-10001 Acetamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butyn-1-yl]- [ Show all ]
Inchi Key	HWYHDWGGACRVEH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
PubChem CID	19716
ChEMBL	CHEMBL11081
IUPHAR	N/A
BindingDB	50009300
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	48.0 %	PMID2153827	ChEMBL
Affinity	88.8 %	PMID2153827	ChEMBL

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