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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	CHEMBL563305
Molecular formula	C30H34N2O
IUPAC name	N-benzyl-3-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanamide
Molecular weight	438.615
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.9
Synonyms	endo-N-benzyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanamide BDBM50297135
Inchi Key	ABFWCAYAWMISPA-VSGBNLITSA-N
Inchi ID	InChI=1S/C30H34N2O/c1-32-27-17-18-28(32)20-24(19-27)21-30(25-13-7-3-8-14-25,26-15-9-4-10-16-26)29(33)31-22-23-11-5-2-6-12-23/h2-16,24,27-28H,17-22H2,1H3,(H,31,33)/t27-,28-/m1/s1
PubChem CID	45273674
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50297135
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
IC50	839.0 nM	PMID19630384, PMID19616944	BindingDB

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