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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	CID 129447
Molecular formula	C20H22N4O4
IUPAC name	3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enoic acid
Molecular weight	382.42
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.9
Synonyms	N/A
Inchi Key	UGCOFEOEBHUEHA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)
PubChem CID	129447
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50037440
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
336099	Adenosine receptor A1	P34970	ADORA1	Oryctolagus cuniculus (Rabbit)	328
336100	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
336102	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
336098	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
336101	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
336096	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
336095	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
336097	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
336103	Adenosine receptor A3	O02667	ADORA3	Oryctolagus cuniculus (Rabbit)	319

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