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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Sphingosine 1-phosphate receptor 3
Species	Mus musculus (Mouse)
Gene	S1pr3
Synonym	S1P3 receptor S1P3 S1P receptor Edg-3 S1P receptor 3 Lysophospholipid receptor B3 Endothelial differentiation G-protein coupled receptor 3 endothelial differentiation G protein-coupled receptor 3 edg3 Sphingosine 1-phosphate receptor Edg-3 [ Show all ]
Disease	N/A for non-human GPCRs
Length	378
Amino acid sequence	MATTHAQGHQPVLGNDTLREHYDYVGKLAGRLRDPPEGGTLITTILFLVTCSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGRKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKKHRVFLLIGMCWLIAFSLGALPILGWNCLENFPDCSTILPLYSKKYIAFLISIFTAILVTIVILYARIYCLVKSSSRRVANHNSERSMALLRTVVIVVSVFIACWSPLFILFLIDVACRAKECSILFKSQWFIMLAVLNSAMNPVIYTLASKEMRRAFFRLVCGCLVKGKGTQASPMQPALDPSRSKSSSSNNSSHSPKVKEDLPRVATSSCIIDKNRSFQNGVLCK
UniProt	Q9Z0U9
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	N/A
IUPHAR	277
DrugBank	N/A

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	SCHEMBL2237377 AUY 954 D03BRM 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid SKYYWSWIUKISCX-UHFFFAOYSA-N AUY-954 GTPL2925 3-{[2-(2-trifluoromethyl-biphenyl-4-yl)benzo[b]thiophen-5-ylmethyl]amino}propionic acid [ 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.

Experimental Data

Parameter	Value	Reference	Database source
EC50	1096.48 - 1258.93 nM	PMID17114004, PMID17113298	IUPHAR

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