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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 | CHEMBL1916559 |
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Molecular formula | C22H15F6N3O4 |
IUPAC name | 4-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid |
Molecular weight | 499.369 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | BDBM50357781 SCHEMBL4421450 |
Inchi Key | YGAMOUONCVBLTE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34) |
PubChem CID | 44547414 |
ChEMBL | CHEMBL1916559 |
IUPHAR | N/A |
BindingDB | 50357781 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 4.6 nM | PMID21852130 | BindingDB,ChEMBL |
EC50 | 39.0 nM | PMID21852130 | BindingDB,ChEMBL |
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