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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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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 5365697
Molecular formula	C22H34N6O2S2
IUPAC name	1-cyano-2,3-bis[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]guanidine
Molecular weight	478.674
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	1.8
Synonyms	BDBM50005493 LPWXASFIPNYFQP-UHFFFAOYSA-N CHEMBL12858 N-((5-Ethylsulfanylmethyl-furan-2-ylmethyl)-dimethyl-amine)l-N-[1-(((5-Ethylsulfanylmethyl-furan-2-ylmethyl)-dimethyl-amine)amino)-2-cynovinyl]amine 1,3-Bis[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-2-cyanoguanidine 72148-12-0 Guanidine, N-cyano-N',N''-bis(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)- LS-73393 CTK5D5620 N-Cyano-N',N''-bis(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)guanidine 1-cyano-2,3-bis[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]guanidine AC1MHP57 Guanidine,N-cyano-N',N''-bis[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]- N"-Cyano-N,N'-bis[2-[[5-[(dimethylamino)methyl]-2-furanylmethyl]thio]ethyl]guanidine DTXSID20222469 SCHEMBL11210377 [ Show all ]
Inchi Key	LPWXASFIPNYFQP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H34N6O2S2/c1-27(2)13-18-5-7-20(29-18)15-31-11-9-24-22(26-17-23)25-10-12-32-16-21-8-6-19(30-21)14-28(3)4/h5-8H,9-16H2,1-4H3,(H2,24,25,26)
PubChem CID	3055247
ChEMBL	CHEMBL12858
IUPHAR	N/A
BindingDB	50005493
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	660.0 nM	PMID1552502	BindingDB,ChEMBL

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