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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	CHEMBL589549
Molecular formula	C13H17N5
IUPAC name	N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-9-methylpurin-6-amine
Molecular weight	243.314
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.4
Synonyms	N-[(1R,2S,4S)-Bicyclo[2.2.1]heptan-2beta-yl]-9-methyl-9H-purin-6-amine BDBM50308508 N-((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)-9-methyl-9H-purin-6-amine N-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]-9-methylpurin-6-amine N-0861 AC1OCF5T UNII-YCGMULHHH6 component MTQYIGCUBBMQCJ-AEJSXWLSSA-N [ Show all ]
Inchi Key	MTQYIGCUBBMQCJ-AEJSXWLSSA-N
Inchi ID	InChI=1S/C13H17N5/c1-18-7-16-11-12(14-6-15-13(11)18)17-10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,14,15,17)/t8-,9+,10-/m0/s1
PubChem CID	6918211
ChEMBL	CHEMBL589549
IUPHAR	N/A
BindingDB	50308508
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
541604	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
213917	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
541603	Adenosine receptor A3	P35342	ADORA3	Ovis aries (Sheep)	317

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