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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 1
Species	Rattus norvegicus (Rat)
Gene	S1pr1
Synonym	CD363 S1P1 receptor S1P1 S1P receptor Edg-1 S1P receptor 1 Endothelial differentiation G-protein coupled receptor 1 endothelial differentiation G protein-coupled receptor 1 EDG1 (Edg1) Sphingosine 1-phosphate receptor Edg-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	383
Amino acid sequence	MVSSTSIPVVKALRSQVSDYGNYDIIVRHYNYTGKLNIGVEKDHGIKLTSVVFILICCLIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNSSRSFLLISACWVISLILGGLPIMGWNCISSLSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKAKTCDILYKAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIISCCKCPNGDSAGKFKRPIIPGMEFSRSKSDNSSHPQKDDGDNPETIMSSGNVNSSS
UniProt	P48303
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1914263
IUPHAR	N/A
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	(S)-FTY720P 402616-26-6 CHEMBL366208 FTY720-phosphate, (S)-2 [(2S)-2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate (+)-(S)-Fty 720 phosphate 1093AH AOB5357 Fingolimod P MolPort-003-847-514 (S)-FTY720-P 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol Mono(dihydrogen phosphate) Ester C19H34NO5P FTY-720P UNII-92YDM6122J 1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-, 1-(dihydrogen phosphate), (2S)- CS-0006041 GTPL6996 [(2S)-2-amino-3-hydroxy-2-[2-(4-octylphenyl)ethyl]propoxy]phosphonic acid 2-(S)-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol Mono(dihydrogen phosphate) Ester AS-16872 Fingolimod phosphate ester, S- rac FTY720 Phosphate (S)-FTY720-phosphate FTY720 (S)-Phosphate ZINC14163159 1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-, mono(dihydrogen phosphate) (ester), (2S)- 92YDM6122J D04IAF HY-15382 (S)-Fty 720P 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol 1-(Dihydrogen Phosphate) BDBM23165 FT-0668884 SCHEMBL4267565 [ 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	0.29 nM	PMID24900318, PMID22405291	BindingDB,ChEMBL

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