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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	VPC03090-P
Molecular formula	C19H32NO4P
IUPAC name	[1-amino-3-(3-octylphenyl)cyclobutyl]methyl dihydrogen phosphate
Molecular weight	369.442
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	1.4
Synonyms	VPC 03090-P [1-amino-3-(3-octylphenyl)cyclobutyl]methyl dihydrogen phosphate D0W1ZW VPC-03090-P GTPL6992
Inchi Key	LNMFICMTNRORPU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H32NO4P/c1-2-3-4-5-6-7-9-16-10-8-11-17(12-16)18-13-19(20,14-18)15-24-25(21,22)23/h8,10-12,18H,2-7,9,13-15,20H2,1H3,(H2,21,22,23)
PubChem CID	73755254
ChEMBL	N/A
IUPHAR	6992
BindingDB	N/A
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	17.7 nM	PMID21632869	IUPHAR
Kd	17.3 nM	PMID21632869	IUPHAR

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