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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.
Go to the GPCR page and check other ligands which interact with it.
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 5838753
Molecular formula	C20H30N6O5S
IUPAC name	1-N-[2-(dimethylamino)ethyl]-3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine
Molecular weight	466.557
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	3.8
Synonyms	BDBM50004653 CHEMBL106348 1,3-Benzenediamine, N-(2-(dimethylamino)ethyl)-N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro- N-(2-Dimethylamino-ethyl)-N''-[2-(5-dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-benzene-1,3-diamine DTXSID60162158 1-N-(2-dimethylaminoethyl)-3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N'-[2-(dimethylamino)ethyl]benzene-1,5-diamine AC1MILIY LS-29593 142744-21-6 [ Show all ]
Inchi Key	LFSPBUWIBYIALD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H30N6O5S/c1-23(2)9-7-21-17-11-18(20(26(29)30)12-19(17)25(27)28)22-8-10-32-14-16-6-5-15(31-16)13-24(3)4/h5-6,11-12,21-22H,7-10,13-14H2,1-4H3
PubChem CID	3072507
ChEMBL	CHEMBL106348
IUPHAR	N/A
BindingDB	50004653
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	670.0 nM	PMID1507203	BindingDB
IC50	670.0 nM	PMID1507203	ChEMBL

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