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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	CHEMBL11120
Molecular formula	C13H13N5O2
IUPAC name	8-(2-aminophenyl)-1,3-dimethyl-7H-purine-2,6-dione
Molecular weight	271.28
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.8
Synonyms	BDBM50020847 PDSP1_000989 8-(2-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione PDSP2_000973 8-(2-Aminophenyl)theophylline
Inchi Key	PFYRHBKLMLLPGV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H13N5O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-5-3-4-6-8(7)14/h3-6H,14H2,1-2H3,(H,15,16)
PubChem CID	13525064
ChEMBL	CHEMBL11120
IUPHAR	N/A
BindingDB	50020847
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
258796	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
258797	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
258798	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
556481	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412

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