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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 5834442
Molecular formula	C16H20N4O5S
IUPAC name	N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2,4-dinitroaniline
Molecular weight	380.419
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.2
Synonyms	ACMC-20n1qb N,N-Dimethyl-5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)-2-furanmethanamine 2-Furanmethanamine, 5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)-N,N-dimethyl- [2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-(2,4-dinitro-phenyl)-amine DTXSID60162153 BDBM50004661 N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2,4-dinitroaniline 2-Furanmethanamine, N,N-dimethyl-5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)- CHEMBL316973 AC1MILIM LS-70237 142744-13-6 N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitroaniline 2-Furanmethanamine,5-[[[2-[(2,4-dinitrophenyl)amino]ethyl]thio]methyl]-N,N-dimethyl- CTK4C3269 [ Show all ]
Inchi Key	GWLYGKHENDIOMW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H20N4O5S/c1-18(2)10-13-4-5-14(25-13)11-26-8-7-17-15-6-3-12(19(21)22)9-16(15)20(23)24/h3-6,9,17H,7-8,10-11H2,1-2H3
PubChem CID	3072501
ChEMBL	CHEMBL316973
IUPHAR	N/A
BindingDB	50004661
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
107037	Muscarinic acetylcholine receptor M1	P12657	Chrm1	Mus musculus (Mouse)	460
107035	Muscarinic acetylcholine receptor M2	Q9ERZ4	Chrm2	Mus musculus (Mouse)	466
107036	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466

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