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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	CHEMBL2089339
Molecular formula	C21H21N5O2
IUPAC name	(1R,2R,3S,4R,5S)-4-[6-(ethylamino)-2-(2-phenylethynyl)purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular weight	375.432
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	1.9
Synonyms	BDBM50420421
Inchi Key	ZLBANYBSLCWBMC-MFVLPEOLSA-N
Inchi ID	InChI=1S/C21H21N5O2/c1-2-22-20-16-21(25-15(24-20)9-8-12-6-4-3-5-7-12)26(11-23-16)17-13-10-14(13)18(27)19(17)28/h3-7,11,13-14,17-19,27-28H,2,10H2,1H3,(H,22,24,25)/t13-,14+,17+,18+,19-/m0/s1
PubChem CID	70695495
ChEMBL	CHEMBL2089339
IUPHAR	N/A
BindingDB	50420421
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
431156	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
431160	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
431157	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
431159	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
431158	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
458809	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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