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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	CHEMBL11054
Molecular formula	C13H12N4O3
IUPAC name	8-(3-hydroxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione
Molecular weight	272.264
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.8
Synonyms	85872-68-0 MCULE-4675715669 AKOS005495489 NCGC00307408-01 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)phenolate 8-(3-hydroxyphenyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione AB01304223-01 MolPort-000-756-968 AKOS032383794 STK569799 8-(3-hydroxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione AC1LI450 MolPort-002-598-081 BDBM50020846 ZINC4019690 8-(3-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione [ Show all ]
Inchi Key	UZPPSCQEEUUJSB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-4-3-5-8(18)6-7/h3-6,18H,1-2H3,(H,14,15)
PubChem CID	848601
ChEMBL	CHEMBL11054
IUPHAR	N/A
BindingDB	50020846
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
349601	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
349602	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
349603	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409

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