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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	CHEMBL208311
Molecular formula	C25H30N6O4
IUPAC name	(2S,3S,4R,5R)-N-ethyl-5-[6-(ethylamino)-2-(5-phenylpent-1-ynyl)purin-9-yl]-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	478.553
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	2.7
Synonyms	BDBM50182966 (2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-(5-phenylpent-1-ynyl)-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
Inchi Key	ABOGMJLHJDETEP-UGCAPWQASA-N
Inchi ID	InChI=1S/C25H30N6O4/c1-3-26-22-18-23(30-17(29-22)14-10-6-9-13-16-11-7-5-8-12-16)31(15-28-18)25-20(33)19(32)21(35-25)24(34)27-4-2/h5,7-8,11-12,15,19-21,25,32-33H,3-4,6,9,13H2,1-2H3,(H,27,34)(H,26,29,30)/t19-,20+,21-,25+/m0/s1
PubChem CID	44410585
ChEMBL	CHEMBL208311
IUPHAR	N/A
BindingDB	50182966
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
997	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
998	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
999	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
441710	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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