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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	CHEMBL227851
Molecular formula	C18H31N2O4P
IUPAC name	[(3R)-3-amino-4-(4-octylanilino)-4-oxobutyl]phosphonic acid
Molecular weight	370.43
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	0.5
Synonyms	BDBM50198834 [3-amino-3-(4-octylphenylcarbamoyl)propyl]-phosphonic acid
Inchi Key	CSAPJUDXEBTDJR-QGZVFWFLSA-N
Inchi ID	InChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(21)17(19)13-14-25(22,23)24/h9-12,17H,2-8,13-14,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1
PubChem CID	44422573
ChEMBL	CHEMBL227851
IUPHAR	N/A
BindingDB	50198834
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	76.0 nM	PMID17113298	BindingDB,ChEMBL
ECmax	0.64 -	PMID17113298	ChEMBL

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