Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSphingosine 1-phosphate receptor 1
LigandBDBM50419201
Substrate/Competitorn/a
Meas. Tech.ChEMBL_770832 (CHEMBL1837637)
EC50 1.26±n/a nM
Citation Demont, EHArpino, SBit, RACampbell, CADeeks, NDesai, SDowell, SJGaskin, PGray, JRHarrison, LAHaynes, AHeightman, TDHolmes, DSHumphreys, PGKumar, UMorse, MAOsborne, GJPanchal, TPhilpott, KLTaylor, SWatson, RWillis, RWitherington, J Discovery of a brain-penetrant S1P3-sparing direct agonist of the S1P¿? and S1P5 receptors efficacious at low oral dose. J Med Chem54:6724-33 (2011) [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:
BDBM50419201
n/a
NameBDBM50419201
Synonyms:CHEMBL1836171
TypeSmall organic molecule
Emp. Form.C27H31N5O4
Mol. Mass.489.5661
SMILESCC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CC(=O)N[C@@H](C)CO)CCc2c1C |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: