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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	CHEMBL3360364
Molecular formula	C21H20N4O2
IUPAC name	2-propan-2-yloxy-5-[3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Molecular weight	360.417
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	AHSPGSWUSCHUKP-UHFFFAOYSA-N 2-[(1-methylethyl)oxy]-5-[3-(1,2,3,4-tetrahydro-6-isoquinolinyl)-1,2,4-oxadiazol-5-yl]benzonitrile BDBM50034632 SCHEMBL2123025 ZINC118091049
Inchi Key	AHSPGSWUSCHUKP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20N4O2/c1-13(2)26-19-6-5-16(10-18(19)11-22)21-24-20(25-27-21)15-3-4-17-12-23-8-7-14(17)9-15/h3-6,9-10,13,23H,7-8,12H2,1-2H3
PubChem CID	57505996
ChEMBL	CHEMBL3360364
IUPHAR	N/A
BindingDB	50034632
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
441921	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
441920	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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