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GLASS

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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	CHEMBL282874
Molecular formula	C20H20N2O
IUPAC name	11,11-dimethyl-8,17-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2,4,6,12(20),13-hexaen-9-one
Molecular weight	304.393
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.5
Synonyms	7,7-Dimethyl-6,7,9,10,11,12-hexahydro-5H-4b,11-diazabenzo[a]aceanthrylene-5-one
Inchi Key	ACUBTKJTXUPFDJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20N2O/c1-20(2)10-17(23)22-16-6-4-3-5-13(16)18-14-11-21-8-7-12(14)9-15(20)19(18)22/h3-6,9,21H,7-8,10-11H2,1-2H3
PubChem CID	11066674
ChEMBL	CHEMBL282874
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
Cooperativity	0.8 -	PMID11881995	ChEMBL
Log 1/M	4.56 -	PMID11881995	ChEMBL
Log 1/M	4.86 -	PMID11881995	ChEMBL

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