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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	1,3-Diethylxanthine
Molecular formula	C9H12N4O2
IUPAC name	1,3-diethyl-7H-purine-2,6-dione
Molecular weight	208.221
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.9
Synonyms	1,3-diethyl-1H-purine-2,6(3H,7H)-dione 1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro- (9CI) CAS_101420 NSC 515479 Xanthine,3-diethyl- 1,3-diethyl-7H-purine-2,6-dione CTK8D7769 NSC_101420 1,3-Diethylxantine AKOS030616954 DTXSID40199644 UNII-4550Q64O79 1,3-Diethyl-3,7-dihydro-purine-2,6-dione 4550Q64O79 NSC-515479 1,3-diethyl-xanthine AC1L2QSV CTK8I9744 SC 2079 1H-Purine-2, 1,3-diethyl-3,7-dihydro- BDBM82021 GIMNFISWKTZFKJ-UHFFFAOYSA-N Xanthine, 1,3-diethyl- (8CI) 1,3-diethyl-3,9-dihydro-1h-purine-2,6-dione 5169-95-9 CHEMBL416013 NSC515479 AC1Q6LGQ D02RMR SCHEMBL515564 [ Show all ]
Inchi Key	GIMNFISWKTZFKJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12N4O2/c1-3-12-7-6(10-5-11-7)8(14)13(4-2)9(12)15/h5H,3-4H2,1-2H3,(H,10,11)
PubChem CID	101420
ChEMBL	CHEMBL416013
IUPHAR	N/A
BindingDB	82021
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
97352	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
97353	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
555836	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
97354	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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