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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	CHEMBL3359840
Molecular formula	C24H24N4O5
IUPAC name	3-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanoic acid
Molecular weight	448.479
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	0.8
Synonyms	BDBM50034570 SCHEMBL2984219 3-[7-(5-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol -3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoic acid AGTGVLAOPNEXOS-UHFFFAOYSA-N 3-[7-(5-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoic acid
Inchi Key	AGTGVLAOPNEXOS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H24N4O5/c1-15(2)32-21-6-4-17(12-18(21)13-25)24-26-23(27-33-24)16-3-5-20-19(11-16)14-28(9-10-31-20)8-7-22(29)30/h3-6,11-12,15H,7-10,14H2,1-2H3,(H,29,30)
PubChem CID	44129143
ChEMBL	CHEMBL3359840
IUPHAR	N/A
BindingDB	50034570
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
441906	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
441907	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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