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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 | CHEMBL332667 |
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Molecular formula | C18H30Br2NO4P |
IUPAC name | 3-[(3,5-dibromo-4-octoxyphenyl)methylamino]propylphosphonic acid |
Molecular weight | 515.223 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 2.3 |
Synonyms | BDBM50148414 SCHEMBL14195622 [3-(3,5-Dibromo-4-octyloxy-benzylamino)-propyl]-phosphonic acid |
Inchi Key | GCTZIVJBMHYJOP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H30Br2NO4P/c1-2-3-4-5-6-7-10-25-18-16(19)12-15(13-17(18)20)14-21-9-8-11-26(22,23)24/h12-13,21H,2-11,14H2,1H3,(H2,22,23,24) |
PubChem CID | 10289318 |
ChEMBL | CHEMBL332667 |
IUPHAR | N/A |
BindingDB | 50148414 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 1.3 nM | PMID15177461 | BindingDB,ChEMBL |
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