Reaction Details |
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Target | Sphingosine 1-phosphate receptor 1 |
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Ligand | BDBM22201 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_701953 (CHEMBL1657525) |
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IC50 | 100±n/a nM |
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Citation | Saha, AK; Yu, X; Lin, J; Lobera, M; Sharadendu, A; Chereku, S; Schutz, N; Segal, D; Marantz, Y; McCauley, D; Middleton, S; Siu, J; Börli, RW; Buys, J; Horner, M; Salyers, K; Schrag, M; Vargas, HM; Xu, Y; McElvain, M Benzofuran Derivatives as Potent, Orally Active S1P1 Receptor Agonists: A Preclinical Lead Molecule for MS ACS Med Chem Lett2:97-101 (2011) [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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 42836.02 |
Organism: | Homo sapiens (Human) |
Description: | P21453 |
Residue: | 382 |
Sequence: | MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFII
LENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLR
EGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIM
GWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKN
ISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLA
VLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSH
PQKDEGDNPETIMSSGNVNSSS
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BDBM22201 |
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n/a |
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Name | BDBM22201 |
Synonyms: | 1,3,4-oxadiazole based compound, 9 | 1-({4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}methyl)azetidine-3-carboxylic acid | 1-{4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzyl}azetidine-3-carboxylic acid |
Type | Small organic molecule |
Emp. Form. | C23H25N3O3 |
Mol. Mass. | 391.4629 |
SMILES | CC(C)(C)c1ccc(cc1)-c1nnc(o1)-c1ccc(CN2CC(C2)C(O)=O)cc1 |
Structure |
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