Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 4
Ligand
BDBM50553304
Substrate
n/a
Meas. Tech.
ChEMBL_2046168 (CHEMBL4700867)
IC50
<10000±n/a nM
Citation
 Bell, M; Foley, D; Naylor, C; Wood, G; Robinson, C; Riley, J; Epemolu, O; Ellis, L; Scullion, P; Shishikura, Y; Osuna-Cabello, M; Ferguson, L; Pinto, E; Fletcher, D; Katz, E; McLean, WHI; Wyatt, P; Read, KD; Woodland, A Discovery of Soft-Drug Topical Tool Modulators of Sphingosine-1-phosphate Receptor 1 (S1PR1). ACS Med Chem Lett 10:341-347 (2019) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 4
Synonyms:
EDG6 | Endothelial differentiation G-protein coupled receptor 6 | S1P receptor 4 | S1P receptor Edg-6 | S1P4 | S1PR4 | S1PR4_HUMAN | Sphingosine 1-phosphate receptor | Sphingosine 1-phosphate receptor Edg-6 | Sphingosine-1-phosphate receptor 4 | sphingosine-1-phosphate 4 S1P4
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
41647.39
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
384
Sequence:
MNATGTPVAPESCQQLAAGGHSRLIVLHYNHSGRLAGRGGPEDGGLGALRGLSVAASCLVVLENLLVLAAITSHMRSRRWVYYCLVNITLSDLLTGAAYLANVLLSGARTFRLAPAQWFLREGLLFTALAASTFSLLFTAGERFATMVRPVAESGATKTSRVYGFIGLCWLLAALLGMLPLLGWNCLCAFDRCSSLLPLYSKRYILFCLVIFAGVLATIMGLYGAIFRLVQASGQKAPRPAARRKARRLLKTVLMILLAFLVCWGPLFGLLLADVFGSNLWAQEYLRGMDWILALAVLNSAVNPIIYSFRSREVCRAVLSFLCCGCLRLGMRGPGDCLARAVEAHSGASTTDSSLRPRDSFRGSRSLSFRMREPLSSISSVRSI
  
Inhibitor
Name:
BDBM50553304
Synonyms:
CHEMBL4748743
Type:
Small organic molecule
Emp. Form.:
C21H22N2O2S
Mol. Mass.:
366.477
SMILES:
CCC\N=C1/S\C(=C/c2ccc(O)c(C)c2)C(=O)N1c1ccccc1C
Structure:
Search PDB for entries with ligand similarity: