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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	BRN 0240672
Molecular formula	C8H10N4O3
IUPAC name	3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-dione
Molecular weight	210.193
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	-0.6
Synonyms	1H-Purine-2,6-dione,3,9-dihydro-3-(2-hydroxyethyl)-1-methyl- AC1L4JWX LS-162532 3-(2-hydroxyethyl)-1-methyl-3,9-dihydro-1h-purine-2,6-dione 31542-47-9 CTK4G7320 3-(2-Hydroxy-ethyl)-1-methyl-3,7-dihydro-purine-2,6-dione AC1Q6LGP Xanthine, 3-(2-hydroxyethyl)-1-methyl- 3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-dione 1H-Purine-2,6-dione, 3,7-dihydro-3-(2-hydroxyethyl)-1-methyl- DTXSID20185444 3-(2-hydroxyethyl)-1-methyl-3,7-dihydropurine-2,6-dione BDBM50025579 XXSKBKUNDLWMML-UHFFFAOYSA-N 3-(2-Hydroxyethyl)-1-methylxanthine CHEMBL26061 [ Show all ]
Inchi Key	XXSKBKUNDLWMML-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H10N4O3/c1-11-7(14)5-6(10-4-9-5)12(2-3-13)8(11)15/h4,13H,2-3H2,1H3,(H,9,10)
PubChem CID	208041
ChEMBL	CHEMBL26061
IUPHAR	N/A
BindingDB	50025579
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
403449	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
403448	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409

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