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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 5357514
Molecular formula	C23H38N2O2S2
IUPAC name	1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
Molecular weight	438.689
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.4
Synonyms	{5-[7-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-heptylsulfanylmethyl]-furan-2-ylmethyl}-dimethyl-amine 1-[5-[7-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine 2-Furanmethanamine, 5,5'-(1,7-heptanediylbis(thiomethylene))bis(N,N-dimethyl- DTXSID30160828 AC1MIKNG 138878-47-4 5,5'-(1,7-Heptanediylbis(thiomethylene))bis(N,N-dimethyl-2-furanmethanamine) LS-70242 BDBM50005496 2,2'-[1,7-Heptanediylbis(thiomethylene)]bis[5-(dimethylaminomethyl)furan] CHEMBL13426 [ Show all ]
Inchi Key	NOWQNKKWTMXZLC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H38N2O2S2/c1-24(2)16-20-10-12-22(26-20)18-28-14-8-6-5-7-9-15-29-19-23-13-11-21(27-23)17-25(3)4/h10-13H,5-9,14-19H2,1-4H3
PubChem CID	3071776
ChEMBL	CHEMBL13426
IUPHAR	N/A
BindingDB	50005496
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	410.0 nM	PMID1552502	BindingDB,ChEMBL

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