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Target
Sphingosine kinase 1
Ligand
BDBM50438126
Substrate
n/a
Meas. Tech.
ChEMBL_972984 (CHEMBL2412222)
EC50
1900±n/a nM
Citation
 Gustin, DJ; Li, Y; Brown, ML; Min, X; Schmitt, MJ; Wanska, M; Wang, X; Connors, R; Johnstone, S; Cardozo, M; Cheng, AC; Jeffries, S; Franks, B; Li, S; Shen, S; Wong, M; Wesche, H; Xu, G; Carlson, TJ; Plant, M; Morgenstern, K; Rex, K; Schmitt, J; Coxon, A; Walker, N; Kayser, F; Wang, Z Structure guided design of a series of sphingosine kinase (SphK) inhibitors. Bioorg Med Chem Lett 23:4608-16 (2013) [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:
BDBM50438126
Synonyms:
CHEMBL2407197
Type:
Small organic molecule
Emp. Form.:
C27H37N3O2S
Mol. Mass.:
467.667
SMILES:
OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)C23CC4CC(CC(C4)C2)C3)cc1 |r,TLB:24:25:23.22.28:29,THB:24:23:25.30.26:29,26:25:22:28.27.29,26:27:24.25.30:22|
Structure:
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