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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	CHEMBL186443
Molecular formula	C19H20N8O4
IUPAC name	(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-(4-pyridin-3-ylpyrazol-1-yl)purin-9-yl]oxolane-3,4-diol
Molecular weight	424.421
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	-0.4
Synonyms	BDBM50152070 2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-3-yl-pyrazol-1-yl)-purin-9-yl]-tetrahydro-furan-3,4-diol
Inchi Key	AERVIDMZGBOLAP-PZGKNFOESA-N
Inchi ID	InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-11(6-23-27)10-3-2-4-21-5-10/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1
PubChem CID	44396478
ChEMBL	CHEMBL186443
IUPHAR	N/A
BindingDB	50152070
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
3790	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
3789	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
441858	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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