Reaction Details Report a problem with these data
Target
Sphingosine kinase 1
Ligand
BDBM50514479
Substrate
n/a
Meas. Tech.
ChEMBL_1856908 (CHEMBL4357637)
EC50
>1000±n/a nM
Citation
 Sibley, CD; Morris, EA; Kharel, Y; Brown, AM; Huang, T; Bevan, DR; Lynch, KR; Santos, WL Discovery of a Small Side Cavity in Sphingosine Kinase 2 that Enhances Inhibitor Potency and Selectivity. J Med Chem 63:1178-1198 (2020) [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:
BDBM50514479
Synonyms:
CHEMBL4473353
Type:
Small organic molecule
Emp. Form.:
C24H25ClF3N5O2
Mol. Mass.:
507.936
SMILES:
Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)c(CC=C)c1 |r|
Structure:
Search PDB for entries with ligand similarity: