Reaction Details Report a problem with these data
Target
Sphingosine kinase 1
Ligand
BDBM50393647
Substrate
n/a
Meas. Tech.
ChEMBL_855989 (CHEMBL2161990)
Ki
35000±n/a nM
Citation
 Knott, K; Kharel, Y; Raje, MR; Lynch, KR; Santos, WL Effect of alkyl chain length on sphingosine kinase 2 selectivity. Bioorg Med Chem Lett 22:6817-20 (2012) [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:
BDBM50393647
Synonyms:
CHEMBL2158694
Type:
Small organic molecule
Emp. Form.:
C27H48N
Mol. Mass.:
386.6762
SMILES:
CCCCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC |r,wU:16.16,wD:19.23,(15.59,-31.26,;16.34,-29.91,;17.88,-29.89,;18.64,-28.55,;20.18,-28.53,;20.93,-27.19,;22.47,-27.17,;23.22,-25.82,;24.76,-25.8,;25.51,-24.46,;27.05,-24.44,;27.81,-23.09,;29.35,-23.07,;30.14,-24.39,;29.39,-25.74,;27.84,-25.76,;31.67,-24.36,;32.42,-23.01,;33.96,-22.99,;34.75,-24.31,;34,-25.66,;32.47,-25.68,;36.29,-24.29,;37.62,-23.51,;35.89,-22.8,;37.08,-25.62,;38.62,-25.6,;39.41,-26.92,)|
Structure:
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