Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSphingosine kinase 1
LigandBDBM50237415
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1660112 (CHEMBL4009724)
IC50>100000±n/a nM
Citation Schnute, MEMcReynolds, MDCarroll, JChrencik, JHighkin, MKIyanar, KJerome, GRains, JWSaabye, MScholten, JAYates, MNagiec, MM Discovery of a Potent and Selective Sphingosine Kinase 1 Inhibitor through the Molecular Combination of Chemotype-Distinct Screening Hits. J Med Chem60:2562-2572 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Sphingosine kinase 1
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:
MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHA
RELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASL
NHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLE
SEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVP
LEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLL
RLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFW
MVSGCVEPPPSWKPQQMPPPEEPL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50237415
n/a
NameBDBM50237415
Synonyms:CHEMBL4064624
TypeSmall organic molecule
Emp. Form.C25H31N3O2
Mol. Mass.405.5325
SMILESCc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: