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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 1
Species	Mus musculus (Mouse)
Gene	S1pr1
Synonym	S1P1 receptor S1P1 S1P receptor Edg-1 S1P receptor 1 Lysophospholipid receptor B1 Endothelial differentiation G-protein coupled receptor 1 endothelial differentiation G protein-coupled receptor 1 EDG1 (Edg1) CD363 Sphingosine 1-phosphate receptor Edg-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	382
Amino acid sequence	MVSTSIPEVKALRSSVSDYGNYDIIVRHYNYTGKLNIGAEKDHGIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNSSRSFLLISACWVISLILGGLPIMGWNCISSLSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKAKTCDILYKAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIVSCCKCPNGDSAGKFKRPIIPGMEFSRSKSDNSSHPQKDDGDNPETIMSSGNVNSSS
UniProt	O08530
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	CHEMBL1914262
IUPHAR	275
DrugBank	N/A

Ligand

Name	Fingolimod phosphate
Molecular formula	C19H34NO5P
IUPAC name	[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	D06DYN FTY720 (R)-Phosphate Phosphoric acid mono-[2-amino-2-hydroxymethyl-4-(4-octyl-phenyl)-butyl] ester 402616-23-3 BDBM50152337 fingolimod-P FTY720-phosphate RT-013055 2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl dihydrogen phosphate CHEMBL114606 FTY-720P LRFKWQGGENFBFO-UHFFFAOYSA-N {2-amino-3-hydroxy-2-[2-(4-octylphenyl)ethyl]propoxy}phosphonic acid BCP10789 DTXSID20432703 FTY720 phosphate Phosphoric acid mono-[2-amino-2-hydroxymethyl-4-(4-octyl-phenyl)-butyl]ester CHEBI:73420 FT-0668885 FTY720-phosphate, rac-2 SCHEMBL80475 2-amino-2-({[dihydroxy(oxido)-$l^{5}-phosphanyl]oxy}methyl)-4-(4-octylphenyl)butan-1-ol CTK8E7738 FTY-P Phosphoric acid mono-[(R/S)-2-amino-2-hydroxymethyl-4-(4-octyl-phenyl)-butyl]ester 402615-91-2 BDBM23163 FTY720-P racFTY720 Phosphate FTY-720-P GTPL2924 [2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate [ Show all ]
Inchi Key	LRFKWQGGENFBFO-UHFFFAOYSA-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)
PubChem CID	9908268
ChEMBL	CHEMBL114606
IUPHAR	2924
BindingDB	23163
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	0.316228 - 6.30957 nM	PMID17898319, PMID11967257	IUPHAR

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