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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 | CHEMBL3883947 |
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Molecular formula | C20H19NO4S |
IUPAC name | 4-[[7-(1,3-benzodioxol-5-yl)-1-benzothiophen-2-yl]methylamino]butanoic acid |
Molecular weight | 369.435 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 1.4 |
Synonyms | BDBM50209059 |
Inchi Key | DZZJBUMZZFFKTR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H19NO4S/c22-19(23)5-2-8-21-11-15-9-14-3-1-4-16(20(14)26-15)13-6-7-17-18(10-13)25-12-24-17/h1,3-4,6-7,9-10,21H,2,5,8,11-12H2,(H,22,23) |
PubChem CID | 134131256 |
ChEMBL | CHEMBL3883947 |
IUPHAR | N/A |
BindingDB | 50209059 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 3130.0 nM | PMID27894870 | BindingDB,ChEMBL |
Efficacy | 26.0 % | PMID27894870 | ChEMBL |
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