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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 | CHEMBL3403619 |
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Molecular formula | C26H27F3N2O3 |
IUPAC name | 2-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]acetic acid |
Molecular weight | 472.508 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 3.1 |
Synonyms | SCHEMBL946655 BDBM50063864 D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylam SC-92768 |
Inchi Key | ISBCPWVJRHMKFI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H27F3N2O3/c27-26(28,29)21-11-15(5-7-18(21)16-3-1-2-4-16)14-34-17-6-8-22-20(12-17)19-9-10-30-23(13-24(32)33)25(19)31-22/h5-8,11-12,16,23,30-31H,1-4,9-10,13-14H2,(H,32,33) |
PubChem CID | 49839234 |
ChEMBL | CHEMBL3403619 |
IUPHAR | N/A |
BindingDB | 50063864 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 0.03 nM | PMID25532755 | ChEMBL |
EC50 | 0.03 nM | PMID25532755 | BindingDB |
EC50 | 0.06 nM | PMID25532755 | ChEMBL |
EC50 | 0.06 nM | PMID25532755 | BindingDB |
EC50 | 1.2 nM | PMID25532755 | BindingDB,ChEMBL |
Emax | 82.0 % | PMID25532755 | ChEMBL |
Emax | 92.0 % | PMID25532755 | ChEMBL |
Emax | 104.0 % | PMID25532755 | ChEMBL |
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