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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	CHEMBL561364
Molecular formula	C27H29N5O6
IUPAC name	N-(4-acetylphenyl)-2-[4-[1-ethyl-3-(3-methoxypropyl)-2,6-dioxo-7H-purin-8-yl]phenoxy]acetamide
Molecular weight	519.558
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.3
Synonyms	BDBM50414351
Inchi Key	AKZIEFVYNBPYOK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H29N5O6/c1-4-31-26(35)23-25(32(27(31)36)14-5-15-37-3)30-24(29-23)19-8-12-21(13-9-19)38-16-22(34)28-20-10-6-18(7-11-20)17(2)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)
PubChem CID	45268867
ChEMBL	CHEMBL561364
IUPHAR	N/A
BindingDB	50414351
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
8048	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
8047	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
8046	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
442031	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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