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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 53633248
Molecular formula	C28H29N5O4
IUPAC name	N-(2-acetylphenyl)-3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enamide
Molecular weight	499.571
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.5
Synonyms	N/A
Inchi Key	AAYAXEYKWMOSAT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H29N5O4/c1-4-16-32-26-24(27(36)33(17-5-2)28(32)37)30-25(31-26)20-13-10-19(11-14-20)12-15-23(35)29-22-9-7-6-8-21(22)18(3)34/h6-15H,4-5,16-17H2,1-3H3,(H,29,35)(H,30,31)
PubChem CID	53633248
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50086181
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
612	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
614	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
611	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
613	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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