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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	ATL802
Molecular formula	C24H22F3N7O3
IUPAC name	N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)pyridin-2-yl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
Molecular weight	513.481
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	2.9
Synonyms	GTPL5616 N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)pyridin-2-yl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide D05QNV SCHEMBL1243258
Inchi Key	IKIXRBGOWUFFBN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H22F3N7O3/c1-3-10-33-20-18(22(36)34(23(33)37)15-6-7-15)30-19(31-20)13-5-9-17(29-11-13)32(2)21(35)14-4-8-16(28-12-14)24(25,26)27/h4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,30,31)
PubChem CID	24780383
ChEMBL	N/A
IUPHAR	5616
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
553957	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
553964	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
553960	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
553963	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
553958	Adenosine receptor A2b	Q60614	Adora2b	Mus musculus (Mouse)	332
553962	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
553959	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
553961	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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