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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	CHEMBL3407777
Molecular formula	C20H22N8O3
IUPAC name	(1S,2R,3S,4R,5S)-2,3-dihydroxy-N-methyl-4-[6-(methylamino)-2-[2-(1-methylpyrazol-4-yl)ethynyl]purin-9-yl]bicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	422.449
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-0.7
Synonyms	BDBM50069981
Inchi Key	JKXSQHYANQAEJR-NQWXTVAOSA-N
Inchi ID	InChI=1S/C20H22N8O3/c1-21-17-13-18(26-12(25-17)5-4-10-7-24-27(3)8-10)28(9-23-13)14-11-6-20(11,19(31)22-2)16(30)15(14)29/h7-9,11,14-16,29-30H,6H2,1-3H3,(H,22,31)(H,21,25,26)/t11-,14-,15+,16+,20+/m1/s1
PubChem CID	118730344
ChEMBL	CHEMBL3407777
IUPHAR	N/A
BindingDB	50069981
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
447755	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
447757	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
447758	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
447759	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
447756	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
447760	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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