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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	CHEMBL118860
Molecular formula	C19H34NO3P
IUPAC name	3-[(4-nonylphenyl)methylamino]propylphosphonic acid
Molecular weight	355.459
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	2.1
Synonyms	569684-50-0 N-(4-Nonylbenzyl)-3-aminopropylphosphonic acid [3-(4-Nonyl-benzylamino)-propyl]-phosphonic acid DTXSID10471181 BDBM50148394 Phosphonic acid, [3-[[(4-nonylphenyl)methyl]amino]propyl]- CTK1E1410 IYOGKTIRIRHPOH-UHFFFAOYSA-N SCHEMBL3846202 D0D5QS [ Show all ]
Inchi Key	IYOGKTIRIRHPOH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H34NO3P/c1-2-3-4-5-6-7-8-10-18-11-13-19(14-12-18)17-20-15-9-16-24(21,22)23/h11-14,20H,2-10,15-17H2,1H3,(H2,21,22,23)
PubChem CID	11725751
ChEMBL	CHEMBL118860
IUPHAR	N/A
BindingDB	50148394
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	8.2 nM	PMID15341940	ChEMBL
IC50	8.2 nM	PMID15341940	BindingDB

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