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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	CHEMBL3885415
Molecular formula	C25H23NO2S
IUPAC name	2-[3-[[7-(2-ethylphenyl)-1-benzothiophen-2-yl]methylamino]phenyl]acetic acid
Molecular weight	401.524
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	6.3
Synonyms	BDBM50209023
Inchi Key	DQEIXFLEOVOQHX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H23NO2S/c1-2-18-8-3-4-11-22(18)23-12-6-9-19-15-21(29-25(19)23)16-26-20-10-5-7-17(13-20)14-24(27)28/h3-13,15,26H,2,14,16H2,1H3,(H,27,28)
PubChem CID	134131209
ChEMBL	CHEMBL3885415
IUPHAR	N/A
BindingDB	50209023
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	3970.0 nM	PMID27894870	BindingDB,ChEMBL
Efficacy	36.0 %	PMID27894870	ChEMBL

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