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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Sphingosine 1-phosphate receptor 5
Species	Homo sapiens (Human)
Gene	S1PR5
Synonym	Sphingosine 1-phosphate receptor Edg-8 S1P5 S1P receptor Edg-8 S1P5 receptor S1P receptor 5 NRG-1 nerve growth factor-regulated G-protein-coupled receptor 1 Endothelial differentiation G-protein-coupled receptor 8 endothelial differentiation G protein-coupled receptor 8 edg8 [ Show all ]
Disease	Multiple scierosis
Length	398
Amino acid sequence	MESGLLRPAPVSEVIVLHYNYTGKLRGARYQPGAGLRADAVVCLAVCAFIVLENLAVLLVLGRHPRFHAPMFLLLGSLTLSDLLAGAAYAANILLSGPLTLKLSPALWFAREGGVFVALTASVLSLLAIALERSLTMARRGPAPVSSRGRTLAMAAAAWGVSLLLGLLPALGWNCLGRLDACSTVLPLYAKAYVLFCVLAFVGILAAICALYARIYCQVRANARRLPARPGTAGTTSTRARRKPRSLALLRTLSVVLLAFVACWGPLFLLLLLDVACPARTCPVLLQADPFLGLAMANSLLNPIIYTLTNRDLRHALLRLVCCGRHSCGRDPSGSQQSASAAEASGGLRRCLPPGLDGSFSGSERSSPQRDGLDTSGSTGSPGAPTAARTLVSEPAAD
UniProt	Q9H228
Protein Data Bank	N/A
GPCR-HGmod model	Q9H228
3D structure model	This predicted structure model is from GPCR-EXP Q9H228.
BioLiP	N/A
Therapeutic Target Database	T50089
ChEMBL	CHEMBL2274
IUPHAR	279
DrugBank	BE0002432

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	0.3 nM	PMID16078855	ChEMBL
EC50	0.3 nM	PMID16078855	BindingDB
EC50	0.34 nM	PMID24900318	BindingDB,ChEMBL
EC50	0.36 nM	PMID20188554	BindingDB,ChEMBL
EC50	63.1 nM	PMID21838322	BindingDB,ChEMBL
Emax	7.2 %	PMID21838322	ChEMBL
Ki	2.2 nM	PMID15598563	BindingDB

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