Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM65085
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
<10±n/a nM
Comments
extracted
Citation
 Dyckman, AJ; Dhar, TG; Xiao, H; Gilmore, JL; Yang, MG; Xiao, Z; Marcoux, D Substituted bicyclic compounds US Patent  US9522888 Publication Date 12/20/2016 
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:
BDBM65085
Synonyms:
US10166249, Example 451 | US9522888, 451
Type:
n/a
Emp. Form.:
C21H31F3NO5P
Mol. Mass.:
465.4435
SMILES:
N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCCCC(F)(F)F)CCc2c1 |r|
Structure:
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