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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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 5352858
Molecular formula	C18H28N2O2S2
IUPAC name	1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
Molecular weight	368.554
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.5
Synonyms	AC1MJ9UT 1-[5-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine 2-Furanmethanamine, 5,5'-(1,2-ethanediylbis(thiomethylene))bis(N,N-dimethyl- LS-70241 BDBM50005503 117846-01-2 CHEMBL13308 {5-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethylsulfanylmethyl]-furan-2-ylmethyl}-dimethyl-amine 1,2-Bis(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethane 2,2'-[1,2-Ethanediylbis(thiomethylene)]bis[5-(dimethylaminomethyl)furan] DTXSID70151932 [ Show all ]
Inchi Key	BFYPXOUNPUWUNL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H28N2O2S2/c1-19(2)11-15-5-7-17(21-15)13-23-9-10-24-14-18-8-6-16(22-18)12-20(3)4/h5-8H,9-14H2,1-4H3
PubChem CID	3088389
ChEMBL	CHEMBL13308
IUPHAR	N/A
BindingDB	50005503
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	1100.0 nM	PMID1552502	BindingDB,ChEMBL

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