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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 5356615
Molecular formula	C22H36N2O2S2
IUPAC name	1-[5-[6-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]hexylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
Molecular weight	424.662
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.9
Synonyms	BDBM50005509 2,2'-[1,6-Hexanediylbis(thiomethylene)]bis[5-(dimethylaminomethyl)furan] CHEMBL268499 {5-[6-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-hexylsulfanylmethyl]-furan-2-ylmethyl}-dimethyl-amine 1-[5-[6-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]hexylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine 2-Furanmethanamine, 5,5'-(1,6-hexanediylbis(thiomethylene))bis(N,N-dimethyl- DTXSID70160827 AC1MIKNE 138878-46-3 5,5'-(1,6-Hexanediylbis(thiomethylene))bis(N,N-dimethyl-2-furanmethanamine) LS-70243 [ Show all ]
Inchi Key	ZRDXAEKCZXNZEQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H36N2O2S2/c1-23(2)15-19-9-11-21(25-19)17-27-13-7-5-6-8-14-28-18-22-12-10-20(26-22)16-24(3)4/h9-12H,5-8,13-18H2,1-4H3
PubChem CID	3071775
ChEMBL	CHEMBL268499
IUPHAR	N/A
BindingDB	50005509
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	540.0 nM	PMID1552502	BindingDB,ChEMBL

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