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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	CHEMBL3800048
Molecular formula	C22H21N5O3
IUPAC name	(1S,2R,3S,4R,5S)-2,3-dihydroxy-N-methyl-4-[6-methyl-2-(2-phenylethynyl)purin-9-yl]bicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	403.442
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	1.1
Synonyms	BDBM50163874
Inchi Key	XKGTXFGCMPVVQJ-JWQSXIGZSA-N
Inchi ID	InChI=1S/C22H21N5O3/c1-12-16-20(26-15(25-12)9-8-13-6-4-3-5-7-13)27(11-24-16)17-14-10-22(14,21(30)23-2)19(29)18(17)28/h3-7,11,14,17-19,28-29H,10H2,1-2H3,(H,23,30)/t14-,17-,18+,19+,22+/m1/s1
PubChem CID	127047826
ChEMBL	CHEMBL3800048
IUPHAR	N/A
BindingDB	50163874
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
532643	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
532641	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
532642	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319

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