Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50152337
Substrate
n/a
Meas. Tech.
ChEMBL_306053 (CHEMBL833009)
IC50
0.28±n/a nM
Citation
 Yan, L; Hale, JJ; Lynch, CL; Budhu, R; Gentry, A; Mills, SG; Hajdu, R; Keohane, CA; Rosenbach, MJ; Milligan, JA; Shei, GJ; Chrebet, G; Bergstrom, J; Card, D; Rosen, H; Mandala, SM Design and synthesis of conformationally constrained 3-(N-alkylamino)propylphosphonic acids as potent agonists of sphingosine-1-phosphate (S1P) receptors. Bioorg Med Chem Lett 14:4861-6 (2004) [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:
BDBM50152337
Synonyms:
2-amino-2-({[dihydroxy(oxido)--phosphanyl]oxy}methyl)-4-(4-octylphenyl)butan-1-ol | 3-(N-alkylamino) propylphosphonic acid derivative
Type:
Small organic molecule
Emp. Form.:
C19H35NO5P
Mol. Mass.:
388.4592
SMILES:
CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)[O-])cc1
Structure:
Search PDB for entries with ligand similarity: