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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 | CHEMBL393055 |
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Molecular formula | C20H34NO5P |
IUPAC name | [(2R,4R,5S)-5-(hydroxymethyl)-4-(4-octylphenyl)pyrrolidin-1-ium-2-yl]methyl hydrogen phosphate |
Molecular weight | 399.468 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 1.0 |
Synonyms | BDBM50197420 (2S,3R,5R)-5-[(hydrogen phosphonatooxy)methyl]-2-(hydroxymethyl)-3-(4-octylphenyl)pyrrolidin-1-ium |
Inchi Key | DKHSWCUVNLYVPR-VAMGGRTRSA-N |
Inchi ID | InChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-13-18(21-20(19)14-22)15-26-27(23,24)25/h9-12,18-22H,2-8,13-15H2,1H3,(H2,23,24,25)/t18-,19-,20-/m1/s1 |
PubChem CID | 44438256 |
ChEMBL | CHEMBL393055 |
IUPHAR | N/A |
BindingDB | 50197420 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <1000.0 nM | PMID17070046 | BindingDB,ChEMBL |
EC50 | <10000.0 nM | PMID21982495 | BindingDB,ChEMBL |
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