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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	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 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 [ 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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
221739	Muscarinic acetylcholine receptor M1	P12657	Chrm1	Mus musculus (Mouse)	460
221738	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466

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