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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 | MLS000876956 |
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Molecular formula | C24H35NO4 |
IUPAC name | (3E,9E)-5,6-dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione |
Molecular weight | 401.547 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 2.5 |
Synonyms | SCHEMBL16108726 MEGxm0_000119 ACon1_000478 NCGC00380732-01 SMR000440637 [ Show all ] |
Inchi Key | GCIKKGSNXSCKCP-HUKVCQRGSA-N |
Inchi ID | InChI=1S/C24H35NO4/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h8-9,11-13,16-20,22,26-27H,6-7,10H2,1-5H3,(H,25,29)/b9-8+,14-11+ |
PubChem CID | 14286542 |
ChEMBL | CHEMBL1981103 |
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 |
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IC50 | 17620.0 nM | PubChem BioAssay data set | ChEMBL |
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