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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	CHEMBL2112158
Molecular formula	C21H23ClN6O3
IUPAC name	(1R,2R,3S,4R,5S)-4-[2-chloro-6-[(2-methylphenyl)methylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	442.904
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	1.7
Synonyms	N/A
Inchi Key	ADCGJGKXOPZGPP-YIVQXCEWSA-N
Inchi ID	InChI=1S/C21H23ClN6O3/c1-10-5-3-4-6-11(10)8-24-17-13-18(27-20(22)26-17)28(9-25-13)14-12-7-21(12,19(31)23-2)16(30)15(14)29/h3-6,9,12,14-16,29-30H,7-8H2,1-2H3,(H,23,31)(H,24,26,27)/t12-,14-,15+,16+,21-/m1/s1
PubChem CID	71454439
ChEMBL	CHEMBL2112158
IUPHAR	N/A
BindingDB	N/A
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
2123	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
2121	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
2122	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
441755	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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