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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-Methyl-3-butylxanthine
Molecular formula	C10H14N4O2
IUPAC name	3-butyl-1-methyl-7H-purine-2,6-dione
Molecular weight	222.248
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.3
Synonyms	3,7-Dihydro-3-butyl-1-methyl-1H-purine-2,6-dione BDBM50001511 Xanthine, 3-butyl-1-methyl- 3-butyl-1-methyl-7H-purine-2,6-dione CTK4G7321 1-methyl-3-butylisoxanthine AC1L53IU SC 2764 1H-Purine-2,6-dione, 3-butyl-3,9-dihydro-1-methyl- 3-butyl-1-methyl-3,7-dihydro-1h-purine-2,6-dione 31542-48-0 DTXSID80185445 AC1Q6LGO SCHEMBL1331789 1H-Purine-2,6-dione,3-butyl-3,9-dihydro-1-methyl- 3-Butyl-1-methyl-3,7-dihydro-purine-2,6-dione CHEMBL130969 LS-126620 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-1-methyl- [ Show all ]
Inchi Key	KYWKJKVQLGANBH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
PubChem CID	169316
ChEMBL	CHEMBL130969
IUPHAR	N/A
BindingDB	50001511
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
181512	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
181513	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
181514	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412

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