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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	CHEMBL2113407
Molecular formula	C18H24N6O5
IUPAC name	(2S,3S,4R,5R)-5-[6-amino-2-(6-hydroxyhex-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	404.427
Hydrogen bond acceptor	9
Hydrogen bond donor	5
XlogP	-0.8
Synonyms	2-(6-Hydroxy-1-hexynyl)-5'-(ethylamino)-5'-oxo-5'-deoxyadenosine BDBM50453353
Inchi Key	APICKFOATAPNKD-MOROJQBDSA-N
Inchi ID	InChI=1S/C18H24N6O5/c1-2-20-17(28)14-12(26)13(27)18(29-14)24-9-21-11-15(19)22-10(23-16(11)24)7-5-3-4-6-8-25/h9,12-14,18,25-27H,2-4,6,8H2,1H3,(H,20,28)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
PubChem CID	10386492
ChEMBL	CHEMBL2113407
IUPHAR	N/A
BindingDB	50453353
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
10998	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
10997	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412

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