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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	CHEMBL3125715
Molecular formula	C22H29N5O2
IUPAC name	(1R,2R,3S,4R,5S)-4-[6-(cyclopentylamino)-2-hex-1-ynylpurin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular weight	395.507
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.1
Synonyms	N/A
Inchi Key	AFXYKJQZGOIMFM-VNEALKQTSA-N
Inchi ID	InChI=1S/C22H29N5O2/c1-2-3-4-5-10-16-25-21(24-13-8-6-7-9-13)17-22(26-16)27(12-23-17)18-14-11-15(14)19(28)20(18)29/h12-15,18-20,28-29H,2-4,6-9,11H2,1H3,(H,24,25,26)/t14-,15+,18+,19+,20-/m0/s1
PubChem CID	76332686
ChEMBL	CHEMBL3125715
IUPHAR	N/A
BindingDB	N/A
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
4604	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
441888	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
4603	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
441889	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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