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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Muscarinic acetylcholine receptor M1
Species	Mus musculus (Mouse)
Gene	Chrm1
Synonym	cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS cholinergic receptor M1 muscarinic acetylcholine receptor M1 receptor M1R Chrm-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	460
Amino acid sequence	MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P12657
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	CHEMBL3733
IUPHAR	13
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	12000.0 nM	PMID9111297	BindingDB,ChEMBL
Inhibition	98.5 %	PMID9111297	ChEMBL
Inhibition	100.0 %	PMID9111297	ChEMBL
Ki	0.589 nM	PMID9111297	ChEMBL
Ki	0.59 nM	PMID9111297	BindingDB
Ki	1.05 nM	PMID9111297	ChEMBL
Ki	1.1 nM	PMID9111297	BindingDB
Smax	98.0 %	PMID9111297	ChEMBL

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