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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	CHEMBL11049
Molecular formula	C20H26N6O4S
IUPAC name	1,3-diethyl-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-7H-purine-2,6-dione
Molecular weight	446.526
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.9
Synonyms	DBKFUHXRVQFACP-UHFFFAOYSA-N 1-[[4-(1,3-diethyl-2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yl)phenyl]sulfonyl]4-methylpiperazine SCHEMBL10804248 1,3-Diethyl-8-[4-(4-methyl-piperazine-1-sulfonyl)-phenyl]-3,7-dihydro-purine-2,6-dione BDBM50020973
Inchi Key	DBKFUHXRVQFACP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H26N6O4S/c1-4-25-18-16(19(27)26(5-2)20(25)28)21-17(22-18)14-6-8-15(9-7-14)31(29,30)24-12-10-23(3)11-13-24/h6-9H,4-5,10-13H2,1-3H3,(H,21,22)
PubChem CID	15587307
ChEMBL	CHEMBL11049
IUPHAR	N/A
BindingDB	50020973
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
55754	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
55755	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326

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