Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50158348
Substrate
n/a
Meas. Tech.
ChEMBL_540418 (CHEMBL1029035)
IC50
0.47±n/a nM
Citation
 Evindar, G; Bernier, SG; Kavarana, MJ; Doyle, E; Lorusso, J; Kelley, MS; Halley, K; Hutchings, A; Wright, AD; Saha, AK; Hannig, G; Morgan, BA; Westlin, WF Synthesis and evaluation of alkoxy-phenylamides and alkoxy-phenylimidazoles as potent sphingosine-1-phosphate receptor subtype-1 agonists. Bioorg Med Chem Lett 19:369-72 (2008) [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:
BDBM50158348
Synonyms:
(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate | (2S,3R,4E)-2-amino-4-octadecene-1,3-diol 1-(dihydrogen phosphate) | CHEMBL225155 | US10676467, Compound S1P | US11584726, Example S1P | sphingosine 1-phosphate | sphingosine-1-phosphate
Type:
Small organic molecule
Emp. Form.:
C18H38NO5P
Mol. Mass.:
379.4718
SMILES:
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: