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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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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 5356180
Molecular formula	C21H34N2O2S2
IUPAC name	1-[5-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]pentylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
Molecular weight	410.635
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.5
Synonyms	BDBM50005495 2,2'-[1,5-Pentanediylbis(thiomethylene)]bis[5-(dimethylaminomethyl)furan] CHEMBL13166 {5-[5-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-pentylsulfanylmethyl]-furan-2-ylmethyl}-dimethyl-amine 1-[5-[5-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]pentylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine 2-Furanmethanamine, 5,5'-(1,5-pentanediylbis(thiomethylene))bis(N,N-dimethyl- DTXSID10160826 AC1MIKNC 138878-45-2 5,5'-(1,5-Pentanediylbis(thiomethylene))bis(N,N-dimethyl-2-furanmethanamine) LS-70246 [ Show all ]
Inchi Key	DCTRPSAPKPORBP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H34N2O2S2/c1-22(2)14-18-8-10-20(24-18)16-26-12-6-5-7-13-27-17-21-11-9-19(25-21)15-23(3)4/h8-11H,5-7,12-17H2,1-4H3
PubChem CID	3071774
ChEMBL	CHEMBL13166
IUPHAR	N/A
BindingDB	50005495
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	810.0 nM	PMID1552502	BindingDB,ChEMBL

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