Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50357793
Substrate
n/a
Meas. Tech.
ChEMBL_786287 (CHEMBL1920392)
EC50
1±n/a nM
Citation
 Buzard, D; Han, S; Thoresen, L; Moody, J; Lopez, L; Kawasaki, A; Schrader, T; Sage, C; Gao, Y; Edwards, J; Barden, J; Thatte, J; Fu, L; Solomon, M; Liu, L; Al-Shamma, H; Gatlin, J; Le, M; Xing, C; Espinola, S; Jones, RM Discovery and characterization of potent and selective 4-oxo-4-(5-(5-phenyl-1,2,4-oxadiazol-3-yl)indolin-1-yl)butanoic acids as S1P¿? agonists. Bioorg Med Chem Lett 21:6013-8 (2011) [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:
BDBM50357793
Synonyms:
CHEMBL1916570
Type:
Small organic molecule
Emp. Form.:
C22H18F3N3O6
Mol. Mass.:
477.39
SMILES:
COc1ccc(cc1OC(F)(F)F)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Structure:
Search PDB for entries with ligand similarity: