Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSphingosine 1-phosphate receptor 1
LigandBDBM50034566
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1439469 (CHEMBL3381246)
EC50 4.0±n/a nM
Citation Skidmore, JHeer, JJohnson, CNNorton, DRedshaw, SSweeting, JHurst, DCridland, AVesey, DWall, IAhmed, MRivers, DMyatt, JGiblin, GPhilpott, KKumar, UStevens, ABit, RAHaynes, ATaylor, SWatson, RWitherington, JDemont, EHeightman, TD Optimization of sphingosine-1-phosphate-1 receptor agonists: effects of acidic, basic, and zwitterionic chemotypes on pharmacokinetic and pharmacodynamic profiles. J Med Chem57:10424-42 (2014) [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:
BDBM50034566
n/a
NameBDBM50034566
Synonyms:CHEMBL3359845
TypeSmall organic molecule
Emp. Form.C24H24N4O4
Mol. Mass.432.4718
SMILESCC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CC(O)=O)CCc2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: