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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 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	4-Diphenylacetoxy-1,1-dimethylpiperidinium
Molecular formula	C21H26NO2+
IUPAC name	(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate
Molecular weight	324.444
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.0
Synonyms	CHEBI:73467 L023947 NCGC00015304-04 4-Damp methobromide AC1Q60WY CHEMBL76897 LS-177624 NCGC00163244-01 C21H26NO2 DTXSID70231086 NCGC00015304-02 ZINC2555356 4-(2,2-diphenylacetoxy)-1,1-dimethylpiperidinium 81405-11-0 Lopac-D-104 NCGC00024611-01 (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-di(phenyl)acetate 4-DAMP(1+) Acetic acid 4-[(4-acetoxy-phenyl)-pyridin-2-yl-methyl]-phenyl ester CTK3E9884 N,N-dimethyl-4-(diphenylacetoxy)piperidinium SCHEMBL2730650 1952-15-4 (iodide) 4-[(diphenylacetyl)oxy]-1,1-dimethylpiperidinium CCG-204500 GTPL307 NCGC00015304-03 4-(Diphenylacetoxy)-1,1-dimethylpiperidinium AC1L1C4C CHEMBL168067 Lopac0_000407 NCGC00024611-02 (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate 4-Diphenylacetoxy-1,1-dimethyl-piperidinium; iodide BDBM50176065 D0A2KT NCGC00015304-01 Tocris-0482 [ Show all ]
Inchi Key	HYJRTXSYDAFGJK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
PubChem CID	1734
ChEMBL	CHEMBL168067
IUPHAR	307
BindingDB	50176065
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.588844 nM	N/A	BindingDB
Ki	1.25893 nM	PMID1325587	IUPHAR
Potency	11.2 nM	PubChem BioAssay data set	ChEMBL
Potency	15.8 nM	PubChem BioAssay data set	ChEMBL

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