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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	CHEMBL2336064
Molecular formula	C26H30F4N2O3
IUPAC name	3-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-fluorophenyl]methylamino]propanoic acid
Molecular weight	494.531
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.8
Synonyms	BDBM50428149 SCHEMBL1566832
Inchi Key	AQEUVBJFUGACMQ-VTNSRFBWSA-N
Inchi ID	InChI=1S/C26H30F4N2O3/c1-17(20-8-9-21(24(27)14-20)15-31-12-11-25(33)34)32-35-16-18-7-10-22(19-5-3-2-4-6-19)23(13-18)26(28,29)30/h7-10,13-14,19,31H,2-6,11-12,15-16H2,1H3,(H,33,34)/b32-17+
PubChem CID	59982944
ChEMBL	CHEMBL2336064
IUPHAR	N/A
BindingDB	50428149
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
11618	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
11619	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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