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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	CHEMBL2113426
Molecular formula	C19H23N5O3S
IUPAC name	(2R,3R,4S,5S)-2-[6-(benzylamino)purin-9-yl]-5-(ethylsulfanylmethyl)oxolane-3,4-diol
Molecular weight	401.485
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	2.3
Synonyms	N-Benzyl-5'-(ethylthio)-5'-deoxyadenosine
Inchi Key	AODTZNBIOJWFHW-NVQRDWNXSA-N
Inchi ID	InChI=1S/C19H23N5O3S/c1-2-28-9-13-15(25)16(26)19(27-13)24-11-23-14-17(21-10-22-18(14)24)20-8-12-6-4-3-5-7-12/h3-7,10-11,13,15-16,19,25-26H,2,8-9H2,1H3,(H,20,21,22)/t13-,15-,16-,19-/m1/s1
PubChem CID	10573122
ChEMBL	CHEMBL2113426
IUPHAR	N/A
BindingDB	N/A
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
10152	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
10153	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
442103	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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