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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	CHEMBL1950555
Molecular formula	C27H31N5O6
IUPAC name	(2R,3R,4S,5R)-2-[6-[[(2R)-2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	521.574
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	3.3
Synonyms	BDBM50364062 ZINC4475154
Inchi Key	BUHVIAUBTBOHAG-JMFNPSSSSA-N
Inchi ID	InChI=1S/C27H31N5O6/c1-15-6-4-5-7-19(15)20(16-8-17(36-2)10-18(9-16)37-3)11-28-25-22-26(30-13-29-25)32(14-31-22)27-24(35)23(34)21(12-33)38-27/h4-10,13-14,20-21,23-24,27,33-35H,11-12H2,1-3H3,(H,28,29,30)/t20-,21-,23-,24-,27-/m1/s1
PubChem CID	57392607
ChEMBL	CHEMBL1950555
IUPHAR	N/A
BindingDB	50364062
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
33093	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
33092	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412

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