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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	CHEMBL3341925
Molecular formula	C23H29N2O6P
IUPAC name	[2-amino-2-(hydroxymethyl)-4-[4-[2-(4-propylphenyl)-1,3-oxazol-4-yl]phenyl]butyl] dihydrogen phosphate
Molecular weight	460.467
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-0.2
Synonyms	BDBM50055548
Inchi Key	ALDJYICSAXWYET-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29N2O6P/c1-2-3-17-6-10-20(11-7-17)22-25-21(14-30-22)19-8-4-18(5-9-19)12-13-23(24,15-26)16-31-32(27,28)29/h4-11,14,26H,2-3,12-13,15-16,24H2,1H3,(H2,27,28,29)
PubChem CID	118716147
ChEMBL	CHEMBL3341925
IUPHAR	N/A
BindingDB	50055548
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	844.0 nM	PMID25072873	BindingDB,ChEMBL

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