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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.
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	CHEMBL542559
Molecular formula	C9H13ClN2O2
IUPAC name	but-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate;hydrochloride
Molecular weight	216.665
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	None
Synonyms	N/A
Inchi Key	FQNOKNKWOCTKIT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12N2O2.ClH/c1-2-3-4-13-9(12)8-5-10-7-11-6-8;/h1,7-8H,3-6H2,(H,10,11);1H
PubChem CID	45259473
ChEMBL	CHEMBL542559
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
EC50	560000.0 nM	PMID9111297	ChEMBL
Inhibition	23.2 %	PMID9111297	ChEMBL
Inhibition	76.8 %	PMID9111297	ChEMBL
Ki	15.5 nM	PMID9111297	ChEMBL
Ki	30.9 nM	PMID9111297	ChEMBL
Smax	340.0 %	PMID9111297	ChEMBL

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