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Target
Sphingosine kinase 1
Ligand
BDBM50077145
Substrate
n/a
Meas. Tech.
ChEMBL_1474026 (CHEMBL3419997)
Ki
>10000±n/a nM
Citation
 Patwardhan, NN; Morris, EA; Kharel, Y; Raje, MR; Gao, M; Tomsig, JL; Lynch, KR; Santos, WL Structure-activity relationship studies and in vivo activity of guanidine-based sphingosine kinase inhibitors: discovery of SphK1- and SphK2-selective inhibitors. J Med Chem 58:1879-99 (2015) [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:
BDBM50077145
Synonyms:
CHEMBL3416836
Type:
Small organic molecule
Emp. Form.:
C21H32ClN5O2
Mol. Mass.:
421.964
SMILES:
Cl.[H][C@]1(C[C@@H](O)CN1C(N)=N)c1nc(no1)-c1ccc(CCCCCCCC)cc1 |r|
Structure:
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