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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	CHEMBL3746886
Molecular formula	C26H23Cl2N9O3S
IUPAC name	(1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-[4-(5-chlorothiophen-2-yl)triazol-1-yl]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	612.49
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	3.1
Synonyms	N/A
Inchi Key	IHVZARQKYHUKTE-MRCYCITQSA-N
Inchi ID	InChI=1S/C26H23Cl2N9O3S/c1-29-24(40)26-8-14(26)19(20(38)21(26)39)36-11-31-18-22(30-9-12-3-2-4-13(27)7-12)32-25(33-23(18)36)37-10-15(34-35-37)16-5-6-17(28)41-16/h2-7,10-11,14,19-21,38-39H,8-9H2,1H3,(H,29,40)(H,30,32,33)/t14-,19-,20+,21+,26+/m1/s1
PubChem CID	127042204
ChEMBL	CHEMBL3746886
IUPHAR	N/A
BindingDB	N/A
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
525383	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
525381	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
525382	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319

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