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GLASS

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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 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	CYM5954
Molecular formula	C16H18N2O4
IUPAC name	3-[2-(2,4-dimethylphenoxy)ethoxy]-6-methyl-2-nitropyridine
Molecular weight	302.33
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.8
Synonyms	CHEMBL1710229 3-[2-(2,4-dimethylphenoxy)ethoxy]-6-methyl-2-nitro-pyridine SR-02000000300 BDBM75598 cid_44620886 3-[2-(2,4-dimethylphenoxy)ethoxy]-6-methyl-2-nitropyridine SR-02000000300-1 [ Show all ]
Inchi Key	BAWCICUTWLKNAE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N2O4/c1-11-4-6-14(12(2)10-11)21-8-9-22-15-7-5-13(3)17-16(15)18(19)20/h4-7,10H,8-9H2,1-3H3
PubChem CID	44620886
ChEMBL	CHEMBL1710229
IUPHAR	N/A
BindingDB	75598
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	7200.0 nM	, PMID22119461, PubChem BioAssay data set	BindingDB,ChEMBL

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