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Target
Sphingosine kinase 1
Ligand
BDBM50077147
Substrate
n/a
Meas. Tech.
ChEMBL_2034878 (CHEMBL4689036)
Ki
48±n/a nM
Citation
 Li, H; Sibley, CD; Kharel, Y; Huang, T; Brown, AM; Wonilowicz, LG; Bevan, DR; Lynch, KR; Santos, WL Lipophilic tail modifications of 2-(hydroxymethyl)pyrrolidine scaffold reveal dual sphingosine kinase 1 and 2 inhibitors. Bioorg Med Chem 30:0 (2021) [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:
BDBM50077147
Synonyms:
CHEMBL3416846
Type:
Small organic molecule
Emp. Form.:
C22H34ClN5O
Mol. Mass.:
419.991
SMILES:
Cl.CCCCCCCCc1ccc(cc1)-c1noc(C[C@@H]2CCCN2C(N)=N)n1 |r|
Structure:
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