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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	CHEMBL3612932
Molecular formula	C22H23ClN6O3S
IUPAC name	(1S,2R,3S,4R,5S)-4-[2-[2-(5-chlorothiophen-2-yl)ethynyl]-6-(propylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	486.975
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	2.5
Synonyms	BDBM50116882
Inchi Key	CPDWVNNYXONUCC-YWNJHDJRSA-N
Inchi ID	InChI=1S/C22H23ClN6O3S/c1-3-8-25-19-15-20(28-14(27-19)7-5-11-4-6-13(23)33-11)29(10-26-15)16-12-9-22(12,21(32)24-2)18(31)17(16)30/h4,6,10,12,16-18,30-31H,3,8-9H2,1-2H3,(H,24,32)(H,25,27,28)/t12-,16-,17+,18+,22+/m1/s1
PubChem CID	122188571
ChEMBL	CHEMBL3612932
IUPHAR	N/A
BindingDB	50116882
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
468740	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
468738	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
468736	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
468737	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
468739	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
468741	Adenosine receptor A3	Q28309	ADORA3	Canis lupus familiaris (Dog)	314

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