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Target
Sphingosine kinase 1
Ligand
BDBM50312869
Substrate
n/a
Meas. Tech.
ChEMBL_1474026 (CHEMBL3419997)
Ki
17000±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:
BDBM50312869
Synonyms:
4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CHEMBL1076555 | N-aryl-4-aryl-1,3-thiazole-2-amine, 5
Type:
Small organic molecule
Emp. Form.:
C15H11ClN2OS
Mol. Mass.:
302.779
SMILES:
Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Structure:
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