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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	CHEMBL542064
Molecular formula	C9H12N2O2
IUPAC name	but-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
Molecular weight	180.207
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	-0.3
Synonyms	1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid but-2-ynyl ester; hydrochloride BDBM50057400 OCYKJDHYLRHMDX-UHFFFAOYSA-N 5-(2-butynyloxycarbonyl)-1,4,5,6-tetrahydropyrimidine CHEMBL1191028 SCHEMBL8673244 [ Show all ]
Inchi Key	OCYKJDHYLRHMDX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12N2O2/c1-2-3-4-13-9(12)8-5-10-7-11-6-8/h7-8H,4-6H2,1H3,(H,10,11)
PubChem CID	10607458
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50057400
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	50000.0 nM	PMID9111297	BindingDB
Ki	9.0 nM	PMID9111297	BindingDB
Ki	14.0 nM	PMID9111297	BindingDB

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