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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 | MLS000675932 |
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Molecular formula | C16H12ClN3O3S |
IUPAC name | 5-chloro-2-methylsulfonyl-N-naphthalen-2-ylpyrimidine-4-carboxamide |
Molecular weight | 361.8 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 2.8 |
Synonyms | 325724-72-9 5-chloro-2-methylsulfonyl-N-naphthalen-2-ylpyrimidine-4-carboxamide cid_991251 Z56771875 5-chloro-2-(methylsulfonyl)-N-(naphthalen-2-yl)pyrimidine-4-carboxamide [ Show all ] |
Inchi Key | FCEVPKDAWILUQM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H12ClN3O3S/c1-24(22,23)16-18-9-13(17)14(20-16)15(21)19-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,19,21) |
PubChem CID | 991251 |
ChEMBL | CHEMBL1480031 |
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 | <5530.0 nM | PubChem BioAssay data set | ChEMBL |
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