Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50315807
Substrate
n/a
Meas. Tech.
ChEMBL_626103 (CHEMBL1111629)
EC50
1.2±n/a nM
Citation
 Hamada, M; Nakamura, M; Kiuchi, M; Marukawa, K; Tomatsu, A; Shimano, K; Sato, N; Sugahara, K; Asayama, M; Takagi, K; Adachi, K Removal of sphingosine 1-phosphate receptor-3 (S1P(3)) agonism is essential, but inadequate to obtain immunomodulating 2-aminopropane-1,3-diol S1P(1) agonists with reduced effect on heart rate. J Med Chem 53:3154-68 (2010) [PubMed]  Article 
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:
BDBM50315807
Synonyms:
2-amino-4-(4'-butoxy-2',5'-difluorobiphenyl-4-yl)-2-(hydroxymethyl)butyl dihydrogen phosphate | CHEMBL1089558
Type:
Small organic molecule
Emp. Form.:
C21H28F2NO6P
Mol. Mass.:
459.4207
SMILES:
CCCCOc1cc(F)c(cc1F)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: