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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Sphingosine 1-phosphate receptor 3
Species	Homo sapiens (Human)
Gene	S1PR3
Synonym	Sphingosine 1-phosphate receptor Edg-3 S1P3 receptor S1P3 S1P receptor Edg-3 S1P receptor 3 Endothelial differentiation G-protein coupled receptor 3 endothelial differentiation G protein-coupled receptor 3 edg3 [ Show all ]
Disease	Breast cancer
Length	378
Amino acid sequence	MATALPPRLQPVRGNETLREHYQYVGKLAGRLKEASEGSTLTTVLFLVICSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGKKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKRHRVFLLIGMCWLIAFTLGALPILGWNCLHNLPDCSTILPLYSKKYIAFCISIFTAILVTIVILYARIYFLVKSSSRKVANHNNSERSMALLRTVVIVVSVFIACWSPLFILFLIDVACRVQACPILFKAQWFIVLAVLNSAMNPVIYTLASKEMRRAFFRLVCNCLVRGRGARASPIQPALDPSRSKSSSSNNSSHSPKVKEDLPHTAPSSCIMDKNAALQNGIFCN
UniProt	Q99500
Protein Data Bank	N/A
GPCR-HGmod model	Q99500
3D structure model	This predicted structure model is from GPCR-EXP Q99500.
BioLiP	N/A
Therapeutic Target Database	T11241
ChEMBL	CHEMBL3892
IUPHAR	277
DrugBank	N/A

Ligand

Name	CHEMBL3883572
Molecular formula	C24H23NO2S
IUPAC name	5-[(4-naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]pentanoic acid
Molecular weight	389.513
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.2
Synonyms	BDBM50209070
Inchi Key	DOOZBFNXMHQNIG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23NO2S/c26-24(27)10-3-4-13-25-16-20-15-22-21(8-5-9-23(22)28-20)19-12-11-17-6-1-2-7-18(17)14-19/h1-2,5-9,11-12,14-15,25H,3-4,10,13,16H2,(H,26,27)
PubChem CID	134130884
ChEMBL	CHEMBL3883572
IUPHAR	N/A
BindingDB	50209070
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	<100000.0 nM	PMID27894870	BindingDB,ChEMBL

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