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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	Rattus norvegicus (Rat)
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	MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDSEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P08482
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	CHEMBL276
IUPHAR	13
DrugBank	N/A

Ligand

Name	CHEMBL117193
Molecular formula	C16H25N3O
IUPAC name	6-(3-hexoxypyrazin-2-yl)-2,3,4,7-tetrahydro-1H-azepine
Molecular weight	275.396
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.6
Synonyms	3-(3-Hexyloxy-2-pyrazinyl)-2,5,6,7-tetrahydro-1H-azepine BDBM50033145 6-(3-Hexyloxy-pyrazin-2-yl)-2,3,4,7-tetrahydro-1H-azepine
Inchi Key	AJSWSVJGFNDUGE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H25N3O/c1-2-3-4-7-12-20-16-15(18-10-11-19-16)14-8-5-6-9-17-13-14/h8,10-11,17H,2-7,9,12-13H2,1H3
PubChem CID	10016259
ChEMBL	CHEMBL117193
IUPHAR	N/A
BindingDB	50033145
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	44.0 nM	PMID7658434	BindingDB,ChEMBL
IC50	167.0 nM	PMID7658434	BindingDB,ChEMBL

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