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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 | CHEMBL324820 |
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Molecular formula | C20H36NO5P |
IUPAC name | 3-[(3-ethoxy-4-octoxyphenyl)methylamino]propylphosphonic acid |
Molecular weight | 401.484 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 1.3 |
Synonyms | [3-(3-Ethoxy-4-octyloxy-benzylamino)-propyl]-phosphonic acid BDBM50148431 SCHEMBL14195655 |
Inchi Key | KSAATBXYGYJAQU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H36NO5P/c1-3-5-6-7-8-9-14-26-19-12-11-18(16-20(19)25-4-2)17-21-13-10-15-27(22,23)24/h11-12,16,21H,3-10,13-15,17H2,1-2H3,(H2,22,23,24) |
PubChem CID | 10126736 |
ChEMBL | CHEMBL324820 |
IUPHAR | N/A |
BindingDB | 50148431 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
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IC50 | 2.5 nM | PMID15177461 | BindingDB,ChEMBL |
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