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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	CHEMBL3612943
Molecular formula	C20H20ClN9O3S
IUPAC name	(1S,2R,3S,4R,5S)-4-[2-[4-(5-chlorothiophen-2-yl)triazol-1-yl]-6-(methylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	501.95
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	1.0
Synonyms	BDBM50116875
Inchi Key	AGWMCSVUOOBINU-YLPMWNLDSA-N
Inchi ID	InChI=1S/C20H20ClN9O3S/c1-22-16-12-17(26-19(25-16)30-6-9(27-28-30)10-3-4-11(21)34-10)29(7-24-12)13-8-5-20(8,18(33)23-2)15(32)14(13)31/h3-4,6-8,13-15,31-32H,5H2,1-2H3,(H,23,33)(H,22,25,26)/t8-,13-,14+,15+,20+/m1/s1
PubChem CID	122188582
ChEMBL	CHEMBL3612943
IUPHAR	N/A
BindingDB	50116875
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
463517	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
463519	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
463518	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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