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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	CHEMBL3679386
Molecular formula	C25H33N5O5
IUPAC name	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(4-propan-2-ylphenyl)methoxy]cyclopentyl]amino]purin-9-yl]oxolane-3,4-diol
Molecular weight	483.569
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	3.1
Synonyms	SCHEMBL12193031 US8501708, 31 BDBM99207
Inchi Key	HEHPEMPIIGZAPY-JSNTWKLXSA-N
Inchi ID	InChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19-,21-,22-,25-/m1/s1
PubChem CID	58455972
ChEMBL	CHEMBL3679386
IUPHAR	N/A
BindingDB	99207
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
112750	Adenosine receptor A1	P34970	ADORA1	Oryctolagus cuniculus (Rabbit)	328
538743	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
112751	Adenosine receptor A3	O02667	ADORA3	Oryctolagus cuniculus (Rabbit)	319

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