Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSphingosine 1-phosphate receptor 1
LigandBDBM50384691
Substrate/Competitorn/a
Meas. Tech.ChEMBL_820804 (CHEMBL2038509)
EC50 15±n/a nM
Citation Harrington, PECroghan, MDFotsch, CFrohn, MLanman, BAPennington, LDPickrell, AJReed, ABSham, KKTasker, AArnett, HAFiorino, MLee, MRMcElvain, MMorrison, HGXu, HXu, YZhang, XWong, MCee, VJ Optimization of a Potent, Orally Active S1P1 Agonist Containing a Quinolinone Core. ACS Med Chem Lett3:74-78 (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:
BDBM50384691
n/a
NameBDBM50384691
Synonyms:CHEMBL2037125
TypeSmall organic molecule
Emp. Form.C27H23F3N2O3
Mol. Mass.480.4783
SMILESCn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CCCO)cc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: