Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50364607
Substrate
n/a
Meas. Tech.
ChEMBL_802668 (CHEMBL1953076)
EC50
4±n/a nM
Citation
 Nakamura, TAsano, MSekiguchi, YMizuno, YTamaki, KKimura, TNara, FKawase, YShimozato, TDoi, HKagari, TTomisato, WInoue, RNagasaki, MYuita, HOguchi-Oshima, KKaneko, RWatanabe, NAbe, YNishi, 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:
BDBM50364607
Synonyms:
CHEMBL1951304
Type:
Small organic molecule
Emp. Form.:
C25H23N3O4S
Mol. Mass.:
461.533
SMILES:
CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: