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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	CHEMBL520297
Molecular formula	C24H25FN6O4S
IUPAC name	1-ethyl-8-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]-3,7-dihydropurine-2,6-dione
Molecular weight	512.56
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	2.0
Synonyms	BDBM50268131 1-Ethyl-8-(4-(4-(4-fluorobenzyl)piperazine-1-sulfonyl)phenyl)-3,7-dihydropurine-2,6-dione
Inchi Key	AQZAJVBRYMBFPK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H25FN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21(26-20)17-5-9-19(10-6-17)36(34,35)30-13-11-29(12-14-30)15-16-3-7-18(25)8-4-16/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)
PubChem CID	44186623
ChEMBL	CHEMBL520297
IUPHAR	N/A
BindingDB	50268131
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
12218	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
12222	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
12220	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
12223	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
12221	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
12219	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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