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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 5360513
Molecular formula	C24H32N2O2S2
IUPAC name	1-[5-[[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
Molecular weight	444.652
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.8
Synonyms	{5-[4-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanylmethyl)-benzylsulfanylmethyl]-furan-2-ylmethyl}-dimethyl-amine 1-[5-[[4-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine 2-Furanmethanamine, 5,5'-(1,4-phenylenebis(methylenethiomethylene))bis(N,N-dimethyl- DTXSID60160831 AC1MIKNM 138878-53-2 5,5'-(1,4-Phenylenebis(methylenethiomethylene))bis(N,N-dimethyl-2-furanmethanamine) LS-70247 BDBM50005502 2,2'-[1,4-Phenylenebis(methylene)bis(thiomethylene)]bis[5-(dimethylaminomethyl)furan] CHEMBL12472 [ Show all ]
Inchi Key	BKKRKDDJCRFGHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H32N2O2S2/c1-25(2)13-21-9-11-23(27-21)17-29-15-19-5-7-20(8-6-19)16-30-18-24-12-10-22(28-24)14-26(3)4/h5-12H,13-18H2,1-4H3
PubChem CID	3071779
ChEMBL	CHEMBL12472
IUPHAR	N/A
BindingDB	50005502
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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