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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 | SCHEMBL3044904 |
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Molecular formula | C19H21NO3 |
IUPAC name | 1-[(2-methyl-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid |
Molecular weight | 311.381 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 0.6 |
Synonyms | CHEMBL3742033 |
Inchi Key | BUKCGZBYYUFUJB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H21NO3/c1-14-9-18(23-13-15-5-3-2-4-6-15)8-7-16(14)10-20-11-17(12-20)19(21)22/h2-9,17H,10-13H2,1H3,(H,21,22) |
PubChem CID | 59451750 |
ChEMBL | CHEMBL3742033 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 4170.0 nM | PMID26509640 | ChEMBL |
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