Reaction Details Report a problem with these data
Target
Sphingosine kinase 1
Ligand
BDBM50266447
Substrate
n/a
Meas. Tech.
ChEMBL_1700862 (CHEMBL4051844)
Ki
300±n/a nM
Citation
 Childress, ES; Kharel, Y; Brown, AM; Bevan, DR; Lynch, KR; Santos, WL Transforming Sphingosine Kinase 1 Inhibitors into Dual and Sphingosine Kinase 2 Selective Inhibitors: Design, Synthesis, and in Vivo Activity. J Med Chem 60:3933-3957 (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:
BDBM50266447
Synonyms:
CHEMBL4062916
Type:
Small organic molecule
Emp. Form.:
C18H20ClNO3
Mol. Mass.:
333.809
SMILES:
CC(=O)N(C1CCCCC1)C1C(Cl)C(=O)c2ccccc2C1=O
Structure:
Search PDB for entries with ligand similarity: