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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL377968
Molecular formula	C23H20F3NO3S
IUPAC name	5-[4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]pyrrolidine-3-carboxylic acid
Molecular weight	447.472
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	2.4
Synonyms	BDBM50185527 5-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)methoxy)phenyl)pyrrolidine-3-carboxylic acid
Inchi Key	DHVYHNBDKXSJGJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H20F3NO3S/c24-23(25,26)21-19(14-4-2-1-3-5-14)11-18(31-21)13-30-17-8-6-15(7-9-17)20-10-16(12-27-20)22(28)29/h1-9,11,16,20,27H,10,12-13H2,(H,28,29)
PubChem CID	44413274
ChEMBL	CHEMBL377968
IUPHAR	N/A
BindingDB	50185527
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4800.0 nM	PMID16621543	BindingDB,ChEMBL

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