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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	CHEMBL3674589
Molecular formula	C22H27N5O5
IUPAC name	(2R,3S,4R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-phenylmethoxycyclopentyl]amino]purin-9-yl]oxolane-3,4-diol
Molecular weight	441.488
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	1.9
Synonyms	SCHEMBL12192986 US8501708, 12 BDBM99192
Inchi Key	XSVRBMOJKPAIJX-IHORJFDXSA-N
Inchi ID	InChI=1S/C22H27N5O5/c28-9-16-18(29)19(30)22(32-16)27-12-25-17-20(23-11-24-21(17)27)26-14-7-4-8-15(14)31-10-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-16,18-19,22,28-30H,4,7-10H2,(H,23,24,26)/t14?,15-,16-,18-,19-,22?/m1/s1
PubChem CID	58455973
ChEMBL	CHEMBL3674589
IUPHAR	N/A
BindingDB	99192
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
400084	Adenosine receptor A1	P34970	ADORA1	Oryctolagus cuniculus (Rabbit)	328
546758	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
400085	Adenosine receptor A3	O02667	ADORA3	Oryctolagus cuniculus (Rabbit)	319

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