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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 | CHEMBL210316 |
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Molecular formula | C21H21BrN2O4 |
IUPAC name | 3-[4-[5-(3-bromo-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoic acid |
Molecular weight | 445.313 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | 3-(4-(5-(3-bromo-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid BDBM50186920 |
Inchi Key | DXNNAWYNODHJCC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H21BrN2O4/c1-12(2)27-18-8-6-15(11-17(18)22)21-23-20(24-28-21)16-7-4-14(10-13(16)3)5-9-19(25)26/h4,6-8,10-12H,5,9H2,1-3H3,(H,25,26) |
PubChem CID | 11575913 |
ChEMBL | CHEMBL210316 |
IUPHAR | N/A |
BindingDB | 50186920 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
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EC50 | 43.0 nM | PMID16697189 | BindingDB,ChEMBL |
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