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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	SMR000203542
Molecular formula	C17H16ClNO4
IUPAC name	1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
Molecular weight	333.768
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.6
Synonyms	1-[(2-chlorobenzyl)oxy]-2-methoxy-4-[(1Z)-2-nitroprop-1-enyl]benzene MLS000584379 AKOS001597285 ZINC258727 CHEMBL1521989 1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene MolPort-007-551-392 BDBM61613 1-(2-chlorobenzyl)oxy-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene cid_12005127 [ Show all ]
Inchi Key	FYIWPEZHWMFQFF-XFXZXTDPSA-N
Inchi ID	InChI=1S/C17H16ClNO4/c1-12(19(20)21)9-13-7-8-16(17(10-13)22-2)23-11-14-5-3-4-6-15(14)18/h3-10H,11H2,1-2H3/b12-9-
PubChem CID	12005127
ChEMBL	CHEMBL1521989
IUPHAR	N/A
BindingDB	61613
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	727.0 nM	PubChem BioAssay data set	ChEMBL

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