Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50315559
Substrate
n/a
Meas. Tech.
ChEMBL_627320 (CHEMBL1108112)
IC50
0.24±n/a nM
Citation
 Evindar, G; Bernier, SG; Doyle, E; Kavarana, MJ; Satz, AL; Lorusso, J; Blanchette, HS; Saha, AK; Hannig, G; Morgan, BA; Westlin, WF Exploration of amino alcohol derivatives as novel, potent, and highly selective sphingosine-1-phosphate receptor subtype-1 agonists. Bioorg Med Chem Lett 20:2520-4 (2010) [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:
BDBM50315559
Synonyms:
(S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-(trifluoromethyl)phenylamino)-2-methyl-3-oxopropyl dihydrogen phosphate | CHEMBL1093429
Type:
Small organic molecule
Emp. Form.:
C25H26F3N2O6P
Mol. Mass.:
538.4527
SMILES:
C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: