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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 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	CHEMBL208300
Molecular formula	C21H28N4
IUPAC name	6-(azepan-1-yl)-2-benzyl-N-cyclopropyl-5-methylpyrimidin-4-amine
Molecular weight	336.483
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.1
Synonyms	BDBM50181099 6-(azepan-1-yl)-2-benzyl-N-cyclopropyl-5-methylpyrimidin-4-amine
Inchi Key	AJIDPCFITULIMR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H28N4/c1-16-20(22-18-11-12-18)23-19(15-17-9-5-4-6-10-17)24-21(16)25-13-7-2-3-8-14-25/h4-6,9-10,18H,2-3,7-8,11-15H2,1H3,(H,22,23,24)
PubChem CID	44409963
ChEMBL	CHEMBL208300
IUPHAR	N/A
BindingDB	50181099
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	501.0 nM	PMID16439121	BindingDB,ChEMBL

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