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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	CHEMBL2170801
Molecular formula	C22H30ClN5O2
IUPAC name	(1R,2R,3S,4R,5S)-4-[2-chloro-6-(dicyclopentylmethylamino)purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular weight	431.965
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.2
Synonyms	N/A
Inchi Key	ABFIZLKSVSXUKS-MFVLPEOLSA-N
Inchi ID	InChI=1S/C22H30ClN5O2/c23-22-26-20(25-15(11-5-1-2-6-11)12-7-3-4-8-12)16-21(27-22)28(10-24-16)17-13-9-14(13)18(29)19(17)30/h10-15,17-19,29-30H,1-9H2,(H,25,26,27)/t13-,14+,17+,18+,19-/m0/s1
PubChem CID	70676458
ChEMBL	CHEMBL2170801
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
799	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
798	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
441700	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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