You can:
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 [ 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 | CHEMBL3806205 |
---|---|
Molecular formula | C22H36NO4P |
IUPAC name | [(1R,3S)-1-amino-3-[(6R)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate |
Molecular weight | 409.507 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 2.0 |
Synonyms | ((1R,3S)-1-amino-3-((R)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methyl dihydrogen phosphate SCHEMBL15953620 BMS-986104-P BWKSEIHXZRSETR-VOQZNFBZSA-N ((1R,3S)-1-amino-3-((R)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl) cyclopentyl)methyl dihydrogen phosphate [ Show all ] |
Inchi Key | BWKSEIHXZRSETR-VOQZNFBZSA-N |
Inchi ID | InChI=1S/C22H36NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h9-10,14,17,21H,2-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1 |
PubChem CID | 78321974 |
ChEMBL | CHEMBL3806205 |
IUPHAR | N/A |
BindingDB | 50169441 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 10.7 nM | PMID26985316 | ChEMBL |
EC50 | 11.0 nM | PMID26985316 | BindingDB |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417