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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	CHEMBL2113345
Molecular formula	C17H18N4O4
IUPAC name	2-[4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)phenyl]acetic acid
Molecular weight	342.355
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	1.8
Synonyms	N/A
Inchi Key	AEGGQHBFSYNDCU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N4O4/c1-2-3-8-21-16(24)13-15(20-17(21)25)19-14(18-13)11-6-4-10(5-7-11)9-12(22)23/h4-7H,2-3,8-9H2,1H3,(H,18,19)(H,20,25)(H,22,23)
PubChem CID	10882425
ChEMBL	CHEMBL2113345
IUPHAR	N/A
BindingDB	N/A
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
3434	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
3433	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
3432	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
441845	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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