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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	CHEMBL3344423
Molecular formula	C22H22Cl2FN5O4
IUPAC name	[4-[3-[4-[(2S)-2-amino-3-hydroxypropoxy]-2-chloro-5-fluorophenyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-chlorophenyl)methanone
Molecular weight	510.347
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.0
Synonyms	BDBM50027942
Inchi Key	AJXAOSOMBAPPOA-HNNXBMFYSA-N
Inchi ID	InChI=1S/C22H22Cl2FN5O4/c23-14-3-1-2-13(8-14)21(32)29-4-6-30(7-5-29)22-27-20(28-34-22)16-9-18(25)19(10-17(16)24)33-12-15(26)11-31/h1-3,8-10,15,31H,4-7,11-12,26H2/t15-/m0/s1
PubChem CID	118717781
ChEMBL	CHEMBL3344423
IUPHAR	N/A
BindingDB	50027942
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<10000.0 nM	PMID25241927	BindingDB,ChEMBL

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