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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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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Muscarinic acetylcholine receptor M3
Species	Mus musculus (Mouse)
Gene	Chrm3
Synonym	cholinergic receptor, muscarinic 3 cholinergic receptor, muscarinic 3, cardiac Chrm-3 cholinergic receptor M3 receptor M3R Mm3 mAChR HM4 [ Show all ]
Disease	N/A for non-human GPCRs
Length	589
Amino acid sequence	MTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVSQLDSYNISQTSGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGTKRSSRRKYGGCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPDKDLGTMDVERNAHKLQAQKSMDDRDNCQKDFSKLPIQLESAVDTAKTSDTNSSVDKTTAALPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
UniProt	Q9ERZ3
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5105
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	114724-56-0
Molecular formula	C9H13N3O
IUPAC name	3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
Molecular weight	179.223
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	0.8
Synonyms	SCHEMBL661974 CHEMBL12378 3-Methyl-5-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-1,2,4-oxadiazole ZINC13820157 BDBM50046728 1-Methyl-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-1,2,3,6-tetrahydro-pyridine FT-0731096 3-Methyl-5-(1-methyl-1,2,5,6-tetrahydropyridine-3-yl)-1,2,4-oxadiazole [ Show all ]
Inchi Key	BKFJSSZEZLOHAQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H13N3O/c1-7-10-9(13-11-7)8-4-3-5-12(2)6-8/h4H,3,5-6H2,1-2H3
PubChem CID	14235519
ChEMBL	CHEMBL12378
IUPHAR	N/A
BindingDB	50046728
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	2800.0 nM	PMID9111297	BindingDB,ChEMBL
Inhibition	29.0 %	PMID9111297	ChEMBL
Inhibition	71.0 %	PMID9111297	ChEMBL
KH	16.0 nM	PMID9111297	ChEMBL
KL	0.46 nM	PMID9111297	ChEMBL
Smax	40.0 %	PMID9111297	ChEMBL

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