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Name | Sphingosine 1-phosphate receptor 1 |
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Species | Homo sapiens (Human) |
Gene | S1PR1 |
Synonym | Sphingosine 1-phosphate receptor Edg-1 S1P1 receptor S1P1 S1P receptor Edg-1 S1P receptor 1 [ Show all ] |
Disease | Immune disorder Macular degeneration Hepatocellular carcinoma; Multiple scierosis Multiple scierosis Primary progressive multiple sclerosis [ Show all ] |
Length | 382 |
Amino acid sequence | MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS |
UniProt | P21453 |
Protein Data Bank | 3v2w |
GPCR-HGmod model | P21453 |
3D structure model | This structure is from PDB ID 3v2w. |
BioLiP | BL0214678 |
Therapeutic Target Database | T13852 |
ChEMBL | CHEMBL4333 |
IUPHAR | 275 |
DrugBank | N/A |
Name | BDBM65291 |
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Molecular formula | C25H33FNO5P |
IUPAC name | [(1S,3R)-1-amino-3-[(6R)-6-[2-(2-fluoro-6-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate |
Molecular weight | 477.513 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 1.4 |
Synonyms | US9522888, 607 |
Inchi Key | AAQPHAKRTFSDKT-ZIYZLLSTSA-N |
Inchi ID | InChI=1S/C25H33FNO5P/c1-31-24-4-2-3-23(26)22(24)10-6-17-5-7-19-14-20(9-8-18(19)13-17)21-11-12-25(27,15-21)16-32-33(28,29)30/h2-4,8-9,14,17,21H,5-7,10-13,15-16,27H2,1H3,(H2,28,29,30)/t17-,21-,25+/m1/s1 |
PubChem CID | 131953739 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 65291 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 55.0 nM | N/A | BindingDB |
EC50 | 550.0 nM | N/A | BindingDB |
IC50 | 550.0 nM | N/A | BindingDB |
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