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Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50364601
Substrate
n/a
Meas. Tech.
ChEMBL_802668 (CHEMBL1953076)
EC50
110±n/a nM
Citation
 Nakamura, T; Asano, M; Sekiguchi, Y; Mizuno, Y; Tamaki, K; Kimura, T; Nara, F; Kawase, Y; Shimozato, T; Doi, H; Kagari, T; Tomisato, W; Inoue, R; Nagasaki, M; Yuita, H; Oguchi-Oshima, K; Kaneko, R; Watanabe, N; Abe, Y; Nishi, T Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist. Bioorg Med Chem Lett 22:1788-92 (2012) [PubMed]  Article 
Target
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:
MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS
  
Inhibitor
Name:
BDBM50364601
Synonyms:
CHEMBL1951155
Type:
Small organic molecule
Emp. Form.:
C24H21N3O4S
Mol. Mass.:
447.506
SMILES:
Cc1ccc(Oc2ccc(cc2)-c2nc(no2)-c2csc(CN3CC(C3)C(O)=O)c2)cc1
Structure:
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