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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	CHEMBL515603
Molecular formula	C22H23N2O6P
IUPAC name	[(2S)-2-amino-2-methyl-3-oxo-3-[4-(4-phenylphenoxy)anilino]propyl] dihydrogen phosphate
Molecular weight	442.408
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	-0.5
Synonyms	BDBM50249238 SCHEMBL14263186 (S)-2-amino-3-(4-(biphenyl-4-yloxy)phenylamino)-2-methyl-3-oxopropyl dihydrogen phosphate
Inchi Key	BPFTXGAARBAJDP-QFIPXVFZSA-N
Inchi ID	InChI=1S/C22H23N2O6P/c1-22(23,15-29-31(26,27)28)21(25)24-18-9-13-20(14-10-18)30-19-11-7-17(8-12-19)16-5-3-2-4-6-16/h2-14H,15,23H2,1H3,(H,24,25)(H2,26,27,28)/t22-/m0/s1
PubChem CID	11690779
ChEMBL	CHEMBL515603
IUPHAR	N/A
BindingDB	50249238
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	455.0 nM	PMID19282175	BindingDB,ChEMBL

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