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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	1,7-Dimethyl-3-isobutylxanthine
Molecular formula	C11H16N4O2
IUPAC name	1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione
Molecular weight	236.275
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.3
Synonyms	464D848 CTK5E0201 AC1L7YS2 NSC400043 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-3-(2-methylpropyl)- DTXSID00321929 1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione AKOS028113744 SCHEMBL1200300 3-Isobutyl-1,7-dimethyl-3,7-dihydro-purine-2,6-dione CHEMBL25096 7464-84-8 NSC-400043 BDBM50025575 ZINC13212561 [ Show all ]
Inchi Key	GJZLMIMXCYMPSI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H16N4O2/c1-7(2)5-15-9-8(13(3)6-12-9)10(16)14(4)11(15)17/h6-7H,5H2,1-4H3
PubChem CID	343637
ChEMBL	CHEMBL25096
IUPHAR	N/A
BindingDB	50025575
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
98407	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
98406	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409

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