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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 | CHEMBL3403625 |
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Molecular formula | C22H17F3N2O5 |
IUPAC name | 2-[8-[[3-cyano-5-(trifluoromethoxy)phenyl]methoxy]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-1-yl]acetic acid |
Molecular weight | 446.382 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 3.3 |
Synonyms | BDBM50063889 SCHEMBL948995 |
Inchi Key | AATFDQYTMDDOJM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H17F3N2O5/c23-22(24,25)32-17-6-13(11-26)5-14(7-17)12-31-16-1-2-18-15(8-16)9-19-20(10-21(28)29)30-4-3-27(18)19/h1-2,5-9,20H,3-4,10,12H2,(H,28,29) |
PubChem CID | 49873196 |
ChEMBL | CHEMBL3403625 |
IUPHAR | N/A |
BindingDB | 50063889 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 6.8 nM | PMID25532755 | BindingDB,ChEMBL |
Emax | 98.0 % | PMID25532755 | ChEMBL |
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