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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-Diisobutylxanthine
Molecular formula	C13H20N4O2
IUPAC name	1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
Molecular weight	264.329
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.8
Synonyms	3,7-Dihydro-1,3-bis(2-methylpropyl)-1H-purine-2,6-dione D0T6XM AC1MIMT3 Xanthine, 1,3-diisobutyl- DTXSID70213605 1,3-bis(2-methylpropyl)-7H-purine-2,6-dione BDBM50022731 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)- CHEMBL26350 63908-24-7 LS-126573 1,3-Diisobutyl-3,7-dihydro-purine-2,6-dione BRN 1143460 [ Show all ]
Inchi Key	IPUAJXHKDUKOCH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H20N4O2/c1-8(2)5-16-11-10(14-7-15-11)12(18)17(13(16)19)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)
PubChem CID	3048504
ChEMBL	CHEMBL26350
IUPHAR	N/A
BindingDB	50022731
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
138982	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
138981	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409

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