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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	CHEMBL3883972
Molecular formula	C22H19NO2S
IUPAC name	3-[(5-naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]propanoic acid
Molecular weight	361.459
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.4
Synonyms	BDBM50209042
Inchi Key	CYBKDJDKNIZVAE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H19NO2S/c24-22(25)9-10-23-14-20-13-19-12-18(7-8-21(19)26-20)17-6-5-15-3-1-2-4-16(15)11-17/h1-8,11-13,23H,9-10,14H2,(H,24,25)
PubChem CID	134130519
ChEMBL	CHEMBL3883972
IUPHAR	N/A
BindingDB	50209042
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	25.0 nM	PMID27894870	BindingDB,ChEMBL
Efficacy	78.0 %	PMID27894870	ChEMBL

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