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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	CHEMBL3800106
Molecular formula	C29H25N5O4
IUPAC name	(1S,2R,3S,4R,5S)-2,3-dihydroxy-4-[6-[(Z)-2-hydroxy-2-phenylethenyl]-2-(2-phenylethynyl)purin-9-yl]-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	507.55
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	2.4
Synonyms	BDBM50163871
Inchi Key	XDLLKPFLFMZRNM-ONFWOEHCSA-N
Inchi ID	InChI=1S/C29H25N5O4/c1-30-28(38)29-15-19(29)24(25(36)26(29)37)34-16-31-23-20(14-21(35)18-10-6-3-7-11-18)32-22(33-27(23)34)13-12-17-8-4-2-5-9-17/h2-11,14,16,19,24-26,35-37H,15H2,1H3,(H,30,38)/b21-14-/t19-,24-,25+,26+,29+/m1/s1
PubChem CID	136048802
ChEMBL	CHEMBL3800106
IUPHAR	N/A
BindingDB	50163871
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
569368	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
569369	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
569367	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319

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