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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	142744-14-7
Molecular formula	C16H19FN4O5S
IUPAC name	N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-5-fluoro-2,4-dinitroaniline
Molecular weight	398.409
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.3
Synonyms	N,N-Dimethyl-5-(((2-((5-fluoro-2,4-ditrophenyl)amino)ethyl)thio)methyl)-2-furanmethanamine ACMC-20n1qc N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-5-fluoroaniline DTXSID20162154 BDBM50004657 N-(2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-2,4-dinitro-5-fluoroaniline CHEMBL104681 [2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-(5-fluoro-2,4-dinitro-phenyl)-amine 2-Furanmethanamine, N,N-dimethyl-5-(((2-((5-fluoro-2,4-ditrophenyl)amino)ethyl)thio)methyl)- LS-70238 AC1MILIO BRN 5836041 N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-5-fluoro-2,4-dinitroaniline CTK4C3270 2-Furanmethanamine,5-[[[2-[(5-fluoro-2,4-dinitrophenyl)amino]ethyl]thio]methyl]-N,N-dimethyl- [ Show all ]
Inchi Key	LAFTTYMJFZRMQP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H19FN4O5S/c1-19(2)9-11-3-4-12(26-11)10-27-6-5-18-14-7-13(17)15(20(22)23)8-16(14)21(24)25/h3-4,7-8,18H,5-6,9-10H2,1-2H3
PubChem CID	3072502
ChEMBL	CHEMBL104681
IUPHAR	N/A
BindingDB	50004657
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	1800.0 nM	PMID1507203	BindingDB,ChEMBL

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