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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 | CHEMBL3359840 |
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Molecular formula | C24H24N4O5 |
IUPAC name | 3-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanoic acid |
Molecular weight | 448.479 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 0.8 |
Synonyms | 3-[7-(5-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol -3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoic acid AGTGVLAOPNEXOS-UHFFFAOYSA-N 3-[7-(5-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoic acid BDBM50034570 SCHEMBL2984219 |
Inchi Key | AGTGVLAOPNEXOS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H24N4O5/c1-15(2)32-21-6-4-17(12-18(21)13-25)24-26-23(27-33-24)16-3-5-20-19(11-16)14-28(9-10-31-20)8-7-22(29)30/h3-6,11-12,15H,7-10,14H2,1-2H3,(H,29,30) |
PubChem CID | 44129143 |
ChEMBL | CHEMBL3359840 |
IUPHAR | N/A |
BindingDB | 50034570 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 50.0 nM | PMID25431977 | BindingDB |
EC50 | 50.12 nM | PMID25431977 | ChEMBL |
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