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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-Isoamyl-3-isobutylxanthine
Molecular formula	C14H22N4O2
IUPAC name	1-(3-methylbutyl)-3-(2-methylpropyl)-7H-purine-2,6-dione
Molecular weight	278.356
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.1
Synonyms	3-Isobutyl-1-(3-methyl-butyl)-3,7-dihydro-purine-2,6-dione CHEMBL20613 63908-26-9 SCHEMBL10579248 1H-Purine-2,6-dione, 3,7-dihydro-1-(3-methylbutyl)-3-(2-methylpropyl)- BDBM50018154 3-Isobutyl-1-isoamylxanthine CTK5C0165 1-(3-methylbutyl)-3-(2-methylpropyl)-7H-purine-2,6-dione 976SW405SB UNII-976SW405SB 1H-Purine-2,6-dione,3,9-dihydro-1-(3-methylbutyl)-3-(2-methylpropyl)- DTXSID30213606 AC1L47J8 ZINC5114421 [ Show all ]
Inchi Key	HRWQHFZQHIUCCC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H22N4O2/c1-9(2)5-6-17-13(19)11-12(16-8-15-11)18(14(17)20)7-10(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)
PubChem CID	152034
ChEMBL	CHEMBL20613
IUPHAR	N/A
BindingDB	50018154
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
122485	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
122487	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
122486	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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