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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	CHEMBL208838
Molecular formula	C25H25F2N3O3
IUPAC name	2-[(3R,5R)-5-[4-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-3-yl]acetic acid
Molecular weight	453.49
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	2.0
Synonyms	BDBM50185524 2-(trans-5-(4-(5-(4-((R)-3,3-difluorocyclopentyl)phenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-3-yl)acetic acid
Inchi Key	BLLBAGSMDDITHA-IPHXSNPTSA-N
Inchi ID	InChI=1S/C25H25F2N3O3/c26-25(27)10-9-20(13-25)16-1-7-19(8-2-16)24-29-23(30-33-24)18-5-3-17(4-6-18)21-11-15(14-28-21)12-22(31)32/h1-8,15,20-21,28H,9-14H2,(H,31,32)/t15-,20-,21-/m1/s1
PubChem CID	44413349
ChEMBL	CHEMBL208838
IUPHAR	N/A
BindingDB	50185524
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	5.1 nM	PMID16621543	BindingDB,ChEMBL
IC50	11.0 nM	PMID16621543	BindingDB,ChEMBL

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