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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	CHEMBL108552
Molecular formula	C25H31FN4O5S
IUPAC name	4-[5-(8-cyclohexyl-2,6-dioxo-1-propyl-7H-purin-3-yl)pentanoyl]benzenesulfonyl fluoride
Molecular weight	518.604
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.8
Synonyms	4-[5-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-pentanoyl]-benzenesulfonyl fluoride BDBM50120223 omega-(1-Propyl-2,6-dioxo-8-cyclohexyl-2,3,6,7-tetrahydro-1H-purine-3-yl)-4'-(fluorosulfonyl)valerophenone
Inchi Key	AHPJUSSESRHGJN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H31FN4O5S/c1-2-15-30-24(32)21-23(28-22(27-21)18-8-4-3-5-9-18)29(25(30)33)16-7-6-10-20(31)17-11-13-19(14-12-17)36(26,34)35/h11-14,18H,2-10,15-16H2,1H3,(H,27,28)
PubChem CID	10481731
ChEMBL	CHEMBL108552
IUPHAR	N/A
BindingDB	50120223
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
5788	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326

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