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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-methyl-3-ethylxanthine
Molecular formula	C8H10N4O2
IUPAC name	3-ethyl-1-methyl-7H-purine-2,6-dione
Molecular weight	194.194
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.5
Synonyms	125573-05-9 CHEMBL334813 3-Ethyl-1-methyl-3,7-dihydro-purine-2,6-dione BDBM50001510 1H-Purine-2,6-dione, 3-ethyl-3,7-dihydro-1-methyl- CTK0F6869 3-Ethyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione DTXSID30579759 ACMC-1C0N4 [ Show all ]
Inchi Key	JUZUUEGSTBASHX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H10N4O2/c1-3-12-6-5(9-4-10-6)7(13)11(2)8(12)14/h4H,3H2,1-2H3,(H,9,10)
PubChem CID	15931309
ChEMBL	CHEMBL334813
IUPHAR	N/A
BindingDB	50001510
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
160669	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
160667	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
160668	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409

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