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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	3-isopropyl-1-methylxanthine
Molecular formula	C9H12N4O2
IUPAC name	1-methyl-3-propan-2-yl-7H-purine-2,6-dione
Molecular weight	208.221
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.8
Synonyms	3-isopropyl-1-methyl xanthine CTK0D9143 102284-72-0 3-Isopropyl-1-methyl-3,7-dihydro-purine-2,6-dione D0M7AX 1-methyl-3-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione ACMC-20m5ap 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(1-methylethyl)- CHEMBL26119 DTXSID50436895 1-Methyl-3-isopropylxanthine BDBM50025581 [ Show all ]
Inchi Key	ZBQTVZYXBOKEMJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12N4O2/c1-5(2)13-7-6(10-4-11-7)8(14)12(3)9(13)15/h4-5H,1-3H3,(H,10,11)
PubChem CID	10219934
ChEMBL	CHEMBL26119
IUPHAR	N/A
BindingDB	50025581
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
424552	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
424553	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
424554	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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