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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	Sphingosine 1-phosphate
Molecular formula	C18H38NO5P
IUPAC name	[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
Molecular weight	379.478
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	1.9
Synonyms	Epitope ID:161059 NCGC00161364-02 sphingosin-1-phosphat Sphingosine-1-Phosphate (d18:1) (2S,3R,4E)-2-amino-4-octadecene-1,3-diol 1-(dihydrogen phosphate) 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), (2S,3R,4E)- B6707 I14-91220 S1P. Sphingosine 1-phosphate, >=95%, powder YP-005 (2S,3R,E)-2-Amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen phosphate),(R-(R,S-(E)))- C06124 D-erythro-Sphingosine 1-phosphate, 96% DTXSID4037166 MolPort-003-850-277 Sphing-4-enine 1-phosphate Sphingosine, D-erythro-1-phosphate [(2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate (2S,3R,4E)-1-(dihydrogen phosphate)2-amino-4-Octadecene-1,3-diol 1712AH AC1NR2K4 C1P(d18:1) GTPL911 Phosphoric acid (2S,3R)-2-amino-3-hydroxy-4-octadecenyl ester Sphingosine 1 Phosphate SPN-1-P (2S,3R,4E)-2-Amino-4-octadecene-1,3-diol 1-(Dihydrogen phosphate) 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), (R-(R,S-(E)))- BDBM50158348 CHEMBL225155 LMSP01050001 SCHEMBL2559423 Sphingosine 1-phosphate, >=98.0% (TLC) YVE187NJ1U (2S,3R,E)-2-Amino-3-hydroxyoctadec-4-enyl dihydrogen phosphate C18-Sphingosine 1-phosphate D-erythro-Sphingosine-1-phosphate DUYSYHSSBDVJSM-KRWOKUGFSA-N NCGC00161364-01 Sphing-4-enine-1-phosphate sphingosine-1-phosphate [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate 26993-30-6 AKOS024456554 CHEBI:37550 HSCI1_000397 S1P UNII-YVE187NJ1U (2S,3R,4E)-2-Amino-4-octadecene-1,3-diol 1-phosphate 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), [R-[R,S-(E)]]- BML3-D06 D-erythro-sphingosine 1-phosphate LS-185514 SCHEMBL3886 Sphingosine 1-phosphic acid ZINC8860500 (2-amino-3-hydroxy-octadec-4-enoxy)phosphonic acid (E)-D-erythro-2-amino-1-(dihydrogenphosphate)-4-octadecene-1,3-diol C18H38NO5P D07UGA [ Show all ]
Inchi Key	DUYSYHSSBDVJSM-KRWOKUGFSA-N
Inchi ID	InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
PubChem CID	5283560
ChEMBL	CHEMBL225155
IUPHAR	911
BindingDB	50158348
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	0.2 nM	PMID20446681	ChEMBL
EC50	0.2 nM	PMID20446681	BindingDB
EC50	0.91 nM	PMID17070046	BindingDB,ChEMBL
EC50	1.25893 - 39.8107 nM	PMID11705398, PMID17114004, PMID11967257, PMID14732717	IUPHAR
EC50	1.7 nM	PMID15341948	BindingDB,ChEMBL
EC50	1.8 nM	PMID24900589	ChEMBL
EC50	9.2 nM	PMID15982878, PMID14505636	BindingDB
EC50	9.2 nM	PMID15982878, PMID14505636	ChEMBL
EC50	43.9 nM	PMID14505636	ChEMBL
EC50	44.0 nM	PMID14505636	BindingDB
EC50	121.0 nM	PMID20446681	BindingDB,ChEMBL
Emax	1.0 -	PMID15982878	ChEMBL
IC50	0.55 nM	PMID15615513	BindingDB,ChEMBL
IC50	1.1 nM	PMID19081720	BindingDB,ChEMBL
IC50	2.0 nM	PMID20304639	ChEMBL

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