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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	CHEMBL611863
Molecular formula	C22H36N4O6
IUPAC name	7-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dihexylpurine-2,6-dione
Molecular weight	452.552
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	2.6
Synonyms	BDBM50368907
Inchi Key	DVAYXRDQFWKYQL-GWRCBPMCSA-N
Inchi ID	InChI=1S/C22H36N4O6/c1-3-5-7-9-11-24-19-16(20(30)25(22(24)31)12-10-8-6-4-2)26(14-23-19)21-18(29)17(28)15(13-27)32-21/h14-15,17-18,21,27-29H,3-13H2,1-2H3/t15-,17-,18-,21?/m1/s1
PubChem CID	46875682
ChEMBL	CHEMBL611863
IUPHAR	N/A
BindingDB	50368907
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
69731	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
69732	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
69730	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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