Reaction Details Report a problem with these data
Target
Sphingosine kinase 1
Ligand
BDBM50312869
Substrate
n/a
Meas. Tech.
ChEMBL_1717751 (CHEMBL4132751)
Ki
17000±n/a nM
Citation
 Vettorazzi, M; Angelina, E; Lima, S; Gonec, T; Otevrel, J; Marvanova, P; Padrtova, T; Mokry, P; Bobal, P; Acosta, LM; Palma, A; Cobo, J; Bobalova, J; Csollei, J; Malik, I; Alvarez, S; Spiegel, S; Jampilek, J; Enriz, RD An integrative study to identify novel scaffolds for sphingosine kinase 1 inhibitors. Eur J Med Chem 139:461-481 (2017) [PubMed]  Article 
Target
Name:
Sphingosine kinase 1
Synonyms:
SK1 | SPHK | SPHK1 | SPHK1_HUMAN | SPK | Sphingosine kinase 1 | Sphingosine kinase 1 (SPHK1) | Sphingosine kinase types 1 (SphK1)
Type:
Enzyme
Mol. Mass.:
42521.16
Organism:
Homo sapiens (Human)
Description:
Q9NYA1
Residue:
384
Sequence:
MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSGCVEPPPSWKPQQMPPPEEPL
  
Inhibitor
Name:
BDBM50312869
Synonyms:
4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CHEMBL1076555 | N-aryl-4-aryl-1,3-thiazole-2-amine, 5
Type:
Small organic molecule
Emp. Form.:
C15H11ClN2OS
Mol. Mass.:
302.779
SMILES:
Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: