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Target
Sphingosine kinase 1
Ligand
BDBM50041978
Substrate
n/a
Meas. Tech.
ChEBML_1717751
Ki
3.6±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:
Human
Description:
Q9NYA1
Residue:
384
Sequence:
MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSGCVEPPPSWKPQQMPPPEEPL
  
Inhibitor
Name:
BDBM50041978
Synonyms:
CHEMBL3134157
Type:
Small organic molecule
Emp. Form.:
C27H31NO4S
Mol. Mass.:
465.604
SMILES:
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Structure:
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