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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 5829247
Molecular formula	C16H20FN3O3S
IUPAC name	N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-fluoro-2-nitroaniline
Molecular weight	353.412
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.5
Synonyms	ACMC-20n1qd N,N-Dimethyl-5-(((2-((4-fluoro-2-nitrophenyl)amino)ethyl)thio)methyl)-2-furanmethanamine 2-Furanmethanamine, N,N-dimethyl-5-(((2-((4-fluoro-2-nitrophenyl)amino)ethyl)thio)methyl)- DTXSID80162155 BDBM50004673 N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4-fluoro-2-nitroaniline 2-Furanmethanamine,5-[[[2-[(4-fluoro-2-nitrophenyl)amino]ethyl]thio]methyl]-N,N-dimethyl- CHEMBL104355 AC1MILIQ LS-70239 142744-16-9 [2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-(4-fluoro-2-nitro-phenyl)-amine 2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]-N-(2-nitro-4-fluorophenyl)ethanamine CTK4C3271 [ Show all ]
Inchi Key	NEZXWTGSAGKVIL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H20FN3O3S/c1-19(2)10-13-4-5-14(23-13)11-24-8-7-18-15-6-3-12(17)9-16(15)20(21)22/h3-6,9,18H,7-8,10-11H2,1-2H3
PubChem CID	3072503
ChEMBL	CHEMBL104355
IUPHAR	N/A
BindingDB	50004673
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	4000.0 nM	PMID1507203	BindingDB,ChEMBL

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