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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	CHEMBL92364
Molecular formula	C11H12N4O4
IUPAC name	(E)-3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)prop-2-enoic acid
Molecular weight	264.241
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	-0.1
Synonyms	8-(trans-2-Carboxyvinyl)-1,3,7-trimethylxanthine 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-acrylic acid anion SCHEMBL7403407 8-[(E)-3-Hydroxy-3-oxo-1-propenyl]-1,3,7-trimethylxanthine BDBM50037430 (E)-3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-acrylic acid DIPYUSYJTRLJJR-SNAWJCMRSA-N [ Show all ]
Inchi Key	DIPYUSYJTRLJJR-SNAWJCMRSA-N
Inchi ID	InChI=1S/C11H12N4O4/c1-13-6(4-5-7(16)17)12-9-8(13)10(18)15(3)11(19)14(9)2/h4-5H,1-3H3,(H,16,17)/b5-4+
PubChem CID	44322636
ChEMBL	CHEMBL92364
IUPHAR	N/A
BindingDB	50037430
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
60971	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
60970	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
60972	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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