Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSphingosine 1-phosphate receptor 1
LigandBDBM50420034
Substrate/Competitorn/a
Meas. Tech.ChEMBL_819767 (CHEMBL2034279)
EC50 0.158±n/a nM
Citation Deng, GMeng, QLiu, QXu, XXu, QRen, FGuo, TBLu, HXiang, JNElliott, JDLin, X Identification of benzoxazole analogs as novel, S1P(3) sparing S1P(1) agonists. Bioorg Med Chem Lett22:3973-7 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Sphingosine 1-phosphate receptor 1
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:
MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFII
LENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLR
EGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIM
GWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKN
ISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLA
VLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSH
PQKDEGDNPETIMSSGNVNSSS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50420034
n/a
NameBDBM50420034
Synonyms:CHEMBL2032436
TypeSmall organic molecule
Emp. Form.C28H25F3N2O3
Mol. Mass.494.5049
SMILESOC(=O)C1CCN(CCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)CC1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: