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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	CHEMBL2064636
Molecular formula	C21H21N7O3
IUPAC name	(1S,2R,3S,4R,5S)-2,3-dihydroxy-N-methyl-4-[6-(methylamino)-2-(2-pyridin-2-ylethynyl)purin-9-yl]bicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	419.445
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-0.1
Synonyms	SCHEMBL10323352 BDBM50389131
Inchi Key	IGSSKYVSKMPGJZ-MXKWNSRKSA-N
Inchi ID	InChI=1S/C21H21N7O3/c1-22-18-14-19(27-13(26-18)7-6-11-5-3-4-8-24-11)28(10-25-14)15-12-9-21(12,20(31)23-2)17(30)16(15)29/h3-5,8,10,12,15-17,29-30H,9H2,1-2H3,(H,23,31)(H,22,26,27)/t12-,15-,16+,17+,21+/m1/s1
PubChem CID	57523626
ChEMBL	CHEMBL2064636
IUPHAR	N/A
BindingDB	50389131
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
446927	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
132848	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
446928	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
446929	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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