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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	CHEMBL2089347
Molecular formula	C27H24ClN5O2
IUPAC name	(1R,2R,3S,4R,5S)-4-[2-[2-(2-chlorophenyl)ethynyl]-6-(2-phenylethylamino)purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular weight	485.972
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.2
Synonyms	BDBM50420428
Inchi Key	ABFQFLRHGIKUFY-BKVHWLPGSA-N
Inchi ID	InChI=1S/C27H24ClN5O2/c28-20-9-5-4-8-17(20)10-11-21-31-26(29-13-12-16-6-2-1-3-7-16)22-27(32-21)33(15-30-22)23-18-14-19(18)24(34)25(23)35/h1-9,15,18-19,23-25,34-35H,12-14H2,(H,29,31,32)/t18-,19+,23+,24+,25-/m0/s1
PubChem CID	70687116
ChEMBL	CHEMBL2089347
IUPHAR	N/A
BindingDB	50420428
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
808	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
809	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
441702	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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