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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	CHEMBL3828002
Molecular formula	C24H33N5O3
IUPAC name	1,3-dibutyl-9-[2-(4-hydroxyphenyl)ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight	439.56
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.2
Synonyms	BDBM50187660
Inchi Key	ATEZNJKGGIGILM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H33N5O3/c1-3-5-14-28-21-20(22(31)29(24(28)32)15-6-4-2)27-16-7-13-26(23(27)25-21)17-12-18-8-10-19(30)11-9-18/h8-11,30H,3-7,12-17H2,1-2H3
PubChem CID	127043669
ChEMBL	CHEMBL3828002
IUPHAR	N/A
BindingDB	50187660
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
521868	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
521866	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
521865	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
521867	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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