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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	AUY954
Molecular formula	C25H20F3NO2S
IUPAC name	3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid
Molecular weight	455.495
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.7
Synonyms	AUY-954 GTPL2925 3-{[2-(2-trifluoromethyl-biphenyl-4-yl)benzo[b]thiophen-5-ylmethyl]amino}propionic acid SCHEMBL2237377 AUY 954 D03BRM 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid SKYYWSWIUKISCX-UHFFFAOYSA-N [ Show all ]
Inchi Key	SKYYWSWIUKISCX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H20F3NO2S/c26-25(27,28)21-13-18(7-8-20(21)17-4-2-1-3-5-17)23-14-19-12-16(6-9-22(19)32-23)15-29-11-10-24(30)31/h1-9,12-14,29H,10-11,15H2,(H,30,31)
PubChem CID	11259583
ChEMBL	N/A
IUPHAR	2925
BindingDB	N/A
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
554830	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
554836	Sphingosine 1-phosphate receptor 1	O08530	S1pr1	Mus musculus (Mouse)	382
554831	Sphingosine 1-phosphate receptor 2	P52592	S1pr2	Mus musculus (Mouse)	352
554832	Sphingosine 1-phosphate receptor 3	Q9Z0U9	S1pr3	Mus musculus (Mouse)	378
554835	Sphingosine 1-phosphate receptor 4	Q9Z0L1	S1pr4	Mus musculus (Mouse)	386
554833	Sphingosine 1-phosphate receptor 5	Q9H228	S1PR5	Homo sapiens (Human)	398
554834	Sphingosine 1-phosphate receptor 5	Q91X56	S1pr5	Mus musculus (Mouse)	400

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