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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 | SR-02000000240 |
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Molecular formula | C18H17NO2S |
IUPAC name | N-(2,6-dimethylphenyl)-5-(4-methylthiophen-3-yl)furan-2-carboxamide |
Molecular weight | 311.399 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.6 |
Synonyms | MLS002698999 BDBM62396 N-(2,6-dimethylphenyl)-5-(4-methylthiophen-3-yl)furan-2-carboxamide CHEMBL1393993 SR-02000000240-1 [ Show all ] |
Inchi Key | FKENMOWHEIWXNR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H17NO2S/c1-11-5-4-6-12(2)17(11)19-18(20)16-8-7-15(21-16)14-10-22-9-13(14)3/h4-10H,1-3H3,(H,19,20) |
PubChem CID | 44607581 |
ChEMBL | CHEMBL1393993 |
IUPHAR | N/A |
BindingDB | 62396 |
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 | <25000.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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