| Reaction Details |
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 | Report a problem with these data |
| Target | Sphingosine 1-phosphate receptor 1 |
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| Ligand | BDBM50603356 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2243774 (CHEMBL5157984) |
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| EC50 | 1.3±n/a nM |
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| Citation |  Park, SJ; Yeon, SK; Kim, Y; Kim, HJ; Kim, S; Kim, J; Choi, JW; Kim, B; Lee, EH; Kim, R; Seo, SH; Lee, J; Kim, JW; Lee, HY; Hwang, H; Bahn, YS; Cheong, E; Park, JH; Park, KD Discovery of Novel Sphingosine-1-Phosphate-1 Receptor Agonists for the Treatment of Multiple Sclerosis. J Med Chem65:3539-3562 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Sphingosine 1-phosphate receptor 1 |
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| Name: | Sphingosine 1-phosphate receptor 1 |
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| Synonyms: | CHEDG1 | EDG1 | Endothelial differentiation G-protein coupled receptor 1 | S1P receptor | S1P1 | S1PR1 | S1PR1_HUMAN | Sphingosine 1-phosphate receptor 1 (S1PR1) | Sphingosine 1-phosphate receptor Edg-1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 42836.02 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P21453 |
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| Residue: | 382 |
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| Sequence: | MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFII
LENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLR
EGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIM
GWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKN
ISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLA
VLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSH
PQKDEGDNPETIMSSGNVNSSS
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| BDBM50603356 |
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| n/a |
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| Name | BDBM50603356 |
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| Synonyms: | CHEMBL5170826 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H22F3N4NaO3 |
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| Mol. Mass. | 482.4308 |
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| SMILES | [Na;v0+].[#6]-[#6](-[#6])-[#8]-c1ccc(cc1C(F)(F)F)-c1cn(nn1)-c1ccc(-[#6]-[#7]-2-[#6]-[#6](-[#6]-2)-[#6](-[#8-])=O)cc1 |
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| Structure | 
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