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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	1-Ethyl-3-methylxanthine
Molecular formula	C8H10N4O2
IUPAC name	1-ethyl-3-methyl-7H-purine-2,6-dione
Molecular weight	194.194
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.3
Synonyms	1-ethyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione D04WBU 37102-58-2 1-Ethyl-3-methyl-3,7-dihydro-purine-2,6-dione KVSRUALMCYFLEP-UHFFFAOYSA-N CHEMBL24107 SCHEMBL7016029 BDBM50001514 [ Show all ]
Inchi Key	KVSRUALMCYFLEP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H10N4O2/c1-3-12-7(13)5-6(10-4-9-5)11(2)8(12)14/h4H,3H2,1-2H3,(H,9,10)
PubChem CID	12905388
ChEMBL	CHEMBL24107
IUPHAR	N/A
BindingDB	50001514
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
179442	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
179443	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
179440	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
179441	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
179444	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
179445	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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