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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	CHEMBL210345
Molecular formula	C21H21N5O3
IUPAC name	3-[4-[2-(3-cyano-4-propan-2-yloxyphenyl)tetrazol-5-yl]-3-methylphenyl]propanoic acid
Molecular weight	391.431
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.1
Synonyms	BDBM50186393 3-(4-(2-(3-cyano-4-isopropoxyphenyl)-2H-tetrazol-5-yl)-3-methylphenyl)propanoic acid
Inchi Key	GBZQYCVJSLHSGD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21N5O3/c1-13(2)29-19-8-6-17(11-16(19)12-22)26-24-21(23-25-26)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28)
PubChem CID	44412578
ChEMBL	CHEMBL210345
IUPHAR	N/A
BindingDB	50186393
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	43.0 nM	PMID16682185	BindingDB,ChEMBL

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