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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	PSB-601
Molecular formula	C25H28N6O4S
IUPAC name	8-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione
Molecular weight	508.597
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.4
Synonyms	8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-propyl-1H-purine-2,6(3H,7H)-dione BN0659 D0A9BZ ZINC35923133 8-[4-(4-benzylpiperazide-1-sulfonyl)phenyl]-1-propylxanthine MolPort-003-983-848 BDBM50190709 CHEMBL212625 [ Show all ]
Inchi Key	HHNGYTVWOXXKET-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
PubChem CID	11605883
ChEMBL	CHEMBL212625
IUPHAR	N/A
BindingDB	50190709
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
115100	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
115103	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
115104	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
115106	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
115101	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
115105	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
115102	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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