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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	CHEMBL279688
Molecular formula	C20H26N4O5S
IUPAC name	4-[1-(3-methylbutyl)-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]benzenesulfonic acid
Molecular weight	434.511
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.3
Synonyms	4-[(1-Isopentyl-3-isobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin)-8-yl]benzenesulfonic acid BDBM50018170 4-[3-Isobutyl-1-(3-methyl-butyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-benzenesulfonic acid
Inchi Key	JXMNUSHGVIUZOA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H26N4O5S/c1-12(2)9-10-23-19(25)16-18(24(20(23)26)11-13(3)4)22-17(21-16)14-5-7-15(8-6-14)30(27,28)29/h5-8,12-13H,9-11H2,1-4H3,(H,21,22)(H,27,28,29)
PubChem CID	10094465
ChEMBL	CHEMBL279688
IUPHAR	N/A
BindingDB	50018170
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
162472	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
162473	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409

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