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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	3-[(4-chlorophenyl)methoxy]-6-methyl-2-nitropyridine
Molecular formula	C13H11ClN2O3
IUPAC name	3-[(4-chlorophenyl)methoxy]-6-methyl-2-nitropyridine
Molecular weight	278.692
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.5
Synonyms	3-(4-chlorobenzyl)oxy-6-methyl-2-nitro-pyridine ZINC8780309 MCULE-2339515842 AKOS033924397 SR-02000000333-1 3-[(4-chlorophenyl)methoxy]-6-methyl-2-nitro-pyridine CHEMBL1729042 848905-14-6 MolPort-005-331-179 BDBM79492 Z24764327 cid_4817362 AC1NJ7IQ SR-02000000333 [ Show all ]
Inchi Key	ATVZXRMVIRRKAU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H11ClN2O3/c1-9-2-7-12(13(15-9)16(17)18)19-8-10-3-5-11(14)6-4-10/h2-7H,8H2,1H3
PubChem CID	4817362
ChEMBL	CHEMBL1729042
IUPHAR	N/A
BindingDB	79492
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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