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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	BRN 5359326
Molecular formula	C25H42N2O2S2
IUPAC name	1-[5-[9-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]nonylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
Molecular weight	466.743
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.5
Synonyms	{5-[9-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-nonylsulfanylmethyl]-furan-2-ylmethyl}-dimethyl-amine 1-[5-[9-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]nonylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine DTXSID00160830 2-Furanmethanamine, 5,5'-(1,9-nonanediylbis(thiomethylene))bis(N,N-dimethyl- AC1MIKNK 138878-49-6 LS-70244 5,5'-(1,9-Nonanediylbis(thiomethylene))bis(N,N-dimethyl-2-furanmethanamine) BDBM50005492 CHEMBL418712 2,2'-[1,9-Nonanediylbis(thiomethylene)]bis[5-(dimethylaminomethyl)furan] [ Show all ]
Inchi Key	MYTVLVZQXNODTK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H42N2O2S2/c1-26(2)18-22-12-14-24(28-22)20-30-16-10-8-6-5-7-9-11-17-31-21-25-15-13-23(29-25)19-27(3)4/h12-15H,5-11,16-21H2,1-4H3
PubChem CID	3071778
ChEMBL	CHEMBL418712
IUPHAR	N/A
BindingDB	50005492
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	560.0 nM	PMID1552502	BindingDB,ChEMBL

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