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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 | SCHEMBL3044147 |
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Molecular formula | C16H23NO3 |
IUPAC name | 1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxylic acid |
Molecular weight | 277.364 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 0.4 |
Synonyms | AKOS027158363 CHEMBL3740090 |
Inchi Key | DYYJMZJVDUIBGB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H23NO3/c1-12(2)7-8-20-15-5-3-13(4-6-15)9-17-10-14(11-17)16(18)19/h3-6,12,14H,7-11H2,1-2H3,(H,18,19) |
PubChem CID | 59451870 |
ChEMBL | CHEMBL3740090 |
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 | 3460.0 nM | PMID26509640 | ChEMBL |
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