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GLASS

You can:

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	CHEMBL3797486
Molecular formula	C27H36N4O6
IUPAC name	N-[(2S)-3-[2-ethyl-4-[5-(6-methoxy-4-pentan-3-ylpyridin-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Molecular weight	512.607
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	4.1
Synonyms	BDBM50164811
Inchi Key	AIXCEJHOVYYGTB-NRFANRHFSA-N
Inchi ID	InChI=1S/C27H36N4O6/c1-6-17(7-2)19-11-22(29-24(12-19)35-5)27-30-26(31-37-27)20-9-16(4)25(18(8-3)10-20)36-15-21(33)13-28-23(34)14-32/h9-12,17,21,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t21-/m0/s1
PubChem CID	127046400
ChEMBL	CHEMBL3797486
IUPHAR	N/A
BindingDB	50164811
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	180.0 nM	PMID27027817	BindingDB,ChEMBL

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