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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 5838245
Molecular formula	C19H26N6O5S
IUPAC name	1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(propan-2-ylideneamino)benzene-1,3-diamine
Molecular weight	450.514
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	4.0
Synonyms	BDBM50004666 CHEMBL106932 2-Propanone, (5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)hydrazone N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N'-[(1-methylethylidene)amino]benzene-1,5-diamine 1-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(propan-2-ylideneamino)benzene-1,3-diamine DTXSID30162160 AC1MILJ6 [2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-[5-(N''-isopropylidene-hydrazino)-2,4-dinitro-phenyl]-amine 142744-26-1 LS-122925 [ Show all ]
Inchi Key	FXEKYXNHJDVDPK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H26N6O5S/c1-13(2)21-22-17-9-16(18(24(26)27)10-19(17)25(28)29)20-7-8-31-12-15-6-5-14(30-15)11-23(3)4/h5-6,9-10,20,22H,7-8,11-12H2,1-4H3
PubChem CID	3072512
ChEMBL	CHEMBL106932
IUPHAR	N/A
BindingDB	N/A
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
89524	Muscarinic acetylcholine receptor M1	P12657	Chrm1	Mus musculus (Mouse)	460
89523	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466

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