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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	AC1OA4F2
Molecular formula	C13H12N4O3
IUPAC name	8-(2-hydroxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione
Molecular weight	272.264
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.1
Synonyms	BDBM50020845 MolPort-000-767-069 ZINC15974495 85872-57-7 CHEMBL415248 SCHEMBL10614178 (8Z)-1,3-dimethyl-8-(6-oxocyclohexa-2,4-dien-1-ylidene)-7,9-dihydropurine-2,6-dione AKOS001715451 MCULE-4965365232 SR-01000148099-1 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-hydroxyphenyl)-1,3-dimethyl- 8-(2-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione CCG-121918 MolPort-002-601-865 AC1NUA0D CTK3C8037 SMR000145507 1,3-Dimethyl-8-(2-hydroxyphenyl)xanthine AKOS005710257 MLS000551582 STL057663 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)phenolate 8-(2-hydroxyphenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione Oprea1_464092 DTXSID20425317 SR-01000148099 1,3-dimethyl-8-(6-oxocyclohexa-2,4-dien-1-ylidene)-7,9-dihydropurine-2,6-dione [ Show all ]
Inchi Key	AQYLAPWVIRRDFG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-5-3-4-6-8(7)18/h3-6,18H,1-2H3,(H,14,15)
PubChem CID	936355
ChEMBL	CHEMBL415248
IUPHAR	N/A
BindingDB	50020845
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
557635	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
557636	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
557637	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409

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