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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	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-[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 [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)- CHEMBL104681 AC1MILIO LS-70238 N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-5-fluoro-2,4-dinitroaniline BRN 5836041 2-Furanmethanamine,5-[[[2-[(5-fluoro-2,4-dinitrophenyl)amino]ethyl]thio]methyl]-N,N-dimethyl- CTK4C3270 ACMC-20n1qc N,N-Dimethyl-5-(((2-((5-fluoro-2,4-ditrophenyl)amino)ethyl)thio)methyl)-2-furanmethanamine [ 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.

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
182470	Muscarinic acetylcholine receptor M1	P12657	Chrm1	Mus musculus (Mouse)	460
182471	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466

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