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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	SR-02000000318
Molecular formula	C20H18N4O6
IUPAC name	6-methyl-3-[[3-[(6-methyl-2-nitropyridin-3-yl)oxymethyl]phenyl]methoxy]-2-nitropyridine
Molecular weight	410.386
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.8
Synonyms	BDBM79477 ZINC7229674 6-methyl-3-[[3-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]phenyl]methoxy]-2-nitropyridine cid_16270867 6-methyl-3-[[3-[(6-methyl-2-nitro-pyridin-3-yl)oxymethyl]phenyl]methoxy]-2-nitro-pyridine MCULE-4571513082 AKOS001174950 SR-02000000318-1 6-methyl-3-[3-[(6-methyl-2-nitro-3-pyridyl)oxymethyl]benzyl]oxy-2-nitro-pyridine CHEMBL1702380 6-methyl-3-[[3-[(6-methyl-2-nitropyridin-3-yl)oxymethyl]phenyl]methoxy]-2-nitropyridine MolPort-004-493-643 [ Show all ]
Inchi Key	BCCDCMIBOWXCQW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N4O6/c1-13-6-8-17(19(21-13)23(25)26)29-11-15-4-3-5-16(10-15)12-30-18-9-7-14(2)22-20(18)24(27)28/h3-10H,11-12H2,1-2H3
PubChem CID	16270867
ChEMBL	CHEMBL1702380
IUPHAR	N/A
BindingDB	79477
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	<50000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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