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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	CHEMBL3679382
Molecular formula	C23H28ClN5O5
IUPAC name	(3R,4S,5R)-2-[2-chloro-6-[[(2S)-2-[(3-methylphenyl)methoxy]cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	489.957
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	2.4
Synonyms	BDBM99203 SCHEMBL12193012 US8501708, 23
Inchi Key	NYDFVRTWEYFDIK-XCUHZOMWSA-N
Inchi ID	InChI=1S/C23H28ClN5O5/c1-12-4-2-5-13(8-12)10-33-15-7-3-6-14(15)26-20-17-21(28-23(24)27-20)29(11-25-17)22-19(32)18(31)16(9-30)34-22/h2,4-5,8,11,14-16,18-19,22,30-32H,3,6-7,9-10H2,1H3,(H,26,27,28)/t14?,15-,16+,18+,19+,22?/m0/s1
PubChem CID	58455976
ChEMBL	CHEMBL3679382
IUPHAR	N/A
BindingDB	99203
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
234882	Adenosine receptor A1	P34970	ADORA1	Oryctolagus cuniculus (Rabbit)	328
542196	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
234883	Adenosine receptor A3	O02667	ADORA3	Oryctolagus cuniculus (Rabbit)	319

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