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Target
Sphingosine kinase 1
Ligand
BDBM50438143
Substrate
n/a
Meas. Tech.
ChEMBL_1582612 (CHEMBL3817020)
IC50
10.0±n/a nM
Citation
 Congdon, MD; Kharel, Y; Brown, AM; Lewis, SN; Bevan, DR; Lynch, KR; Santos, WL Structure-Activity Relationship Studies and Molecular Modeling of Naphthalene-Based Sphingosine Kinase 2 Inhibitors. ACS Med Chem Lett 7:229-34 (2016) [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:
BDBM50438143
Synonyms:
CHEMBL2409891
Type:
Small organic molecule
Emp. Form.:
C24H26F3N3O2S
Mol. Mass.:
477.542
SMILES:
OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1 |r|
Structure:
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