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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 | SCHEMBL3042662 |
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Molecular formula | C17H15Cl2NO2 |
IUPAC name | 1-[[4-(3,4-dichlorophenyl)phenyl]methyl]azetidine-3-carboxylic acid |
Molecular weight | 336.212 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 1.7 |
Synonyms | CHEMBL3742345 |
Inchi Key | BGZCTGTUNZJPEX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H15Cl2NO2/c18-15-6-5-13(7-16(15)19)12-3-1-11(2-4-12)8-20-9-14(10-20)17(21)22/h1-7,14H,8-10H2,(H,21,22) |
PubChem CID | 59451797 |
ChEMBL | CHEMBL3742345 |
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 | 4410.0 nM | PMID26509640 | ChEMBL |
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