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Name | Sphingosine 1-phosphate receptor 5 |
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Species | Homo sapiens (Human) |
Gene | S1PR5 |
Synonym | Sphingosine 1-phosphate receptor Edg-8 S1P5 S1P receptor Edg-8 S1P5 receptor S1P receptor 5 [ 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 |
Name | CHEMBL389033 |
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Molecular formula | C18H31N2O4P |
IUPAC name | [(3R)-3-amino-4-(3-octylanilino)-4-oxobutyl]phosphonic acid |
Molecular weight | 370.43 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 0.5 |
Synonyms | D06GFH VPC 44116, (R)-(3-amino-4-((3-octylphenyl)amino)-4-oxobutyl)phosphonic acid, powder [(3R)-3-amino-4-[(3-octylphenyl)amino]-4-oxobutyl]phosphonic acid GTPL2930 VPC-44116 [ Show all ] |
Inchi Key | FMLHSOGKNHADEE-QGZVFWFLSA-N |
Inchi ID | InChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-9-15-10-8-11-16(14-15)20-18(21)17(19)12-13-25(22,23)24/h8,10-11,14,17H,2-7,9,12-13,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1 |
PubChem CID | 11545181 |
ChEMBL | CHEMBL389033 |
IUPHAR | 2930 |
BindingDB | 50198836 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 31.6228 nM | PMID17113298 | IUPHAR |
EC50 | 33.0 nM | PMID17113298 | BindingDB,ChEMBL |
ECmax | 0.73 - | PMID17113298 | ChEMBL |
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