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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	CHEMBL3105479
Molecular formula	C25H28N2O3S
IUPAC name	3-[2-ethyl-6-methyl-4-[5-[(2S,4R)-3,3,9-trimethyl-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-dien-7-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
Molecular weight	436.57
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.8
Synonyms	BDBM50445387 SCHEMBL4974402 2-Ethyl-4-[5-[(4S)-3,7,7-trimethyl-4alpha,5alpha-methano-5,6-dihydro-4H-cyclopenta[c]thiophene-1-yl]-1,2,4-oxadiazole-3-yl]-6-methylbenzenepropanoic acid
Inchi Key	JVFNCNSLPZOKHG-WIYYLYMNSA-N
Inchi ID	InChI=1S/C25H28N2O3S/c1-6-14-10-15(9-12(2)16(14)7-8-19(28)29)23-26-24(30-27-23)22-17-11-18-21(25(18,4)5)20(17)13(3)31-22/h9-10,18,21H,6-8,11H2,1-5H3,(H,28,29)/t18-,21-/m1/s1
PubChem CID	69263869
ChEMBL	CHEMBL3105479
IUPHAR	N/A
BindingDB	50445387
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	2880.0 nM	PMID24266709	ChEMBL

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