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Target
Sphingosine kinase 1
Ligand
BDBM50323217
Substrate
n/a
Meas. Tech.
ChEMBL_2251144 (CHEMBL5165354)
IC50
58±n/a nM
Citation
 Zhang, S; Chen, X; Wu, C; Xu, H; Xie, X; Feng, M; Hu, S; Bai, H; Gao, F; Tong, L; Ding, J; Liu, H; Xie, Z; Wang, J Novel Sphingosine Kinase 1 Inhibitor Suppresses Growth of Solid Tumor and Inhibits the Lung Metastasis of Triple-Negative Breast Cancer. J Med Chem 65:7697-7716 (2022) [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:
BDBM50323217
Synonyms:
(2S,3S)-N-((S)-1-(4-(5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)-3-hydroxypyrrolidine-2-carboxamide | CHEMBL1209617
Type:
Small organic molecule
Emp. Form.:
C22H30N4O3
Mol. Mass.:
398.4986
SMILES:
C[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(cc1)-c1noc(CCC2CCCC2)n1 |r|
Structure:
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