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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 4
Species	Homo sapiens (Human)
Gene	S1PR4
Synonym	S1P4 receptor S1P4 S1P receptor Edg-6 S1P receptor 4 endothelial differentiation, G protein-coupled receptor 6 Endothelial differentiation G-protein coupled receptor 6 edg6 Sphingosine 1-phosphate receptor Edg-6 [ Show all ]
Disease	N/A
Length	384
Amino acid sequence	MNATGTPVAPESCQQLAAGGHSRLIVLHYNHSGRLAGRGGPEDGGLGALRGLSVAASCLVVLENLLVLAAITSHMRSRRWVYYCLVNITLSDLLTGAAYLANVLLSGARTFRLAPAQWFLREGLLFTALAASTFSLLFTAGERFATMVRPVAESGATKTSRVYGFIGLCWLLAALLGMLPLLGWNCLCAFDRCSSLLPLYSKRYILFCLVIFAGVLATIMGLYGAIFRLVQASGQKAPRPAARRKARRLLKTVLMILLAFLVCWGPLFGLLLADVFGSNLWAQEYLRGMDWILALAVLNSAVNPIIYSFRSREVCRAVLSFLCCGCLRLGMRGPGDCLARAVEAHSGASTTDSSLRPRDSFRGSRSLSFRMREPLSSISSVRSI
UniProt	O95977
Protein Data Bank	N/A
GPCR-HGmod model	O95977
3D structure model	This predicted structure model is from GPCR-EXP O95977.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3230
IUPHAR	278
DrugBank	N/A

Ligand

Name	CHEMBL1935689
Molecular formula	C15H13Cl2NO4
IUPAC name	1-[2-(2,4-dichlorophenoxy)ethoxy]-4-methyl-2-nitrobenzene
Molecular weight	342.172
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.6
Synonyms	BDBM50360533
Inchi Key	AJEOGSBQKWOWOV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H13Cl2NO4/c1-10-2-4-15(13(8-10)18(19)20)22-7-6-21-14-5-3-11(16)9-12(14)17/h2-5,8-9H,6-7H2,1H3
PubChem CID	57398735
ChEMBL	CHEMBL1935689
IUPHAR	N/A
BindingDB	50360533
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	1300.0 nM	PMID22119461	BindingDB,ChEMBL
Inhibition	40.0 %	PMID22119461	ChEMBL

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