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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	CHEMBL2413111
Molecular formula	C20H22N10O7
IUPAC name	(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethylamino]purin-9-yl]oxolane-2-carboxamide
Molecular weight	514.459
Hydrogen bond acceptor	14
Hydrogen bond donor	5
XlogP	-0.1
Synonyms	N/A
Inchi Key	AGHBSDMIMVOTOO-KSVNGYGVSA-N
Inchi ID	InChI=1S/C20H22N10O7/c1-2-21-19(33)16-14(31)15(32)20(36-16)29-8-26-13-17(24-7-25-18(13)29)23-6-5-22-9-3-4-10(30(34)35)12-11(9)27-37-28-12/h3-4,7-8,14-16,20,22,31-32H,2,5-6H2,1H3,(H,21,33)(H,23,24,25)/t14-,15+,16-,20+/m0/s1
PubChem CID	73352175
ChEMBL	CHEMBL2413111
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

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
4869	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
4868	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
441897	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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