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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	CHEMBL179315
Molecular formula	C28H30N8O4
IUPAC name	ethyl 2-[4-[[11-(cyclohexylmethyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]carbamoylamino]phenyl]acetate
Molecular weight	542.6
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.2
Synonyms	BDBM50158772 {4-[3-(8-Cyclohexylmethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-phenyl}-acetic acid ethyl ester
Inchi Key	AGNCVKHAYLNUQN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H30N8O4/c1-2-39-23(37)15-18-10-12-20(13-11-18)29-28(38)32-27-31-24-21(17-35(33-24)16-19-7-4-3-5-8-19)26-30-25(34-36(26)27)22-9-6-14-40-22/h6,9-14,17,19H,2-5,7-8,15-16H2,1H3,(H2,29,31,32,33,38)
PubChem CID	11203547
ChEMBL	CHEMBL179315
IUPHAR	N/A
BindingDB	50158772
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
5039	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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