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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 | CHEMBL118860 |
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Molecular formula | C19H34NO3P |
IUPAC name | 3-[(4-nonylphenyl)methylamino]propylphosphonic acid |
Molecular weight | 355.459 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 2.1 |
Synonyms | BDBM50148394 Phosphonic acid, [3-[[(4-nonylphenyl)methyl]amino]propyl]- CTK1E1410 IYOGKTIRIRHPOH-UHFFFAOYSA-N SCHEMBL3846202 [ Show all ] |
Inchi Key | IYOGKTIRIRHPOH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H34NO3P/c1-2-3-4-5-6-7-8-10-18-11-13-19(14-12-18)17-20-15-9-16-24(21,22)23/h11-14,20H,2-10,15-17H2,1H3,(H2,21,22,23) |
PubChem CID | 11725751 |
ChEMBL | CHEMBL118860 |
IUPHAR | N/A |
BindingDB | 50148394 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 0.2 nM | PMID15177461, PMID15177460 | BindingDB |
IC50 | 0.2 nM | PMID15177461, PMID15177460 | ChEMBL |
IC50 | 0.6 nM | PMID15177460 | BindingDB |
IC50 | 0.6 nM | PMID15177460 | ChEMBL |
IC50 | 3.1 nM | PMID15341940 | BindingDB,ChEMBL |
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