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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	(S) FTY720 Phosphate
Molecular formula	C19H34NO5P
IUPAC name	[(2S)-2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate
Molecular weight	387.457
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	0.8
Synonyms	Fingolimod phosphate ester, S- rac FTY720 Phosphate 2-(S)-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol Mono(dihydrogen phosphate) Ester AS-16872 FTY720 (S)-Phosphate ZINC14163159 (S)-FTY720-phosphate D04IAF HY-15382 1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-, mono(dihydrogen phosphate) (ester), (2S)- 92YDM6122J FT-0668884 SCHEMBL4267565 (S)-Fty 720P 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol 1-(Dihydrogen Phosphate) BDBM23165 CHEMBL366208 FTY720-phosphate, (S)-2 [(2S)-2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate (S)-FTY720P 402616-26-6 Fingolimod P MolPort-003-847-514 (+)-(S)-Fty 720 phosphate 1093AH AOB5357 FTY-720P UNII-92YDM6122J (S)-FTY720-P 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol Mono(dihydrogen phosphate) Ester C19H34NO5P CS-0006041 GTPL6996 [(2S)-2-amino-3-hydroxy-2-[2-(4-octylphenyl)ethyl]propoxy]phosphonic acid 1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-, 1-(dihydrogen phosphate), (2S)- [ Show all ]
Inchi Key	LRFKWQGGENFBFO-IBGZPJMESA-N
Inchi ID	InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
PubChem CID	11452022
ChEMBL	CHEMBL366208
IUPHAR	6996
BindingDB	23165
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	0.6 nM	PMID16078855	ChEMBL
EC50	0.6 nM	PMID16078855	BindingDB
EC50	22.16 nM	PMID20188554	BindingDB,ChEMBL
EC50	199.53 nM	PMID21838322	ChEMBL
EC50	200.0 nM	PMID21838322	BindingDB
Emax	48.0 %	PMID21838322	ChEMBL
IC50	2.2 nM	PMID22119341	BindingDB,ChEMBL
Ki	23.0 nM	PMID15598563	BindingDB

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