Reaction Details Report a problem with these data
Target
Sphingosine kinase 1
Ligand
BDBM50393643
Substrate
n/a
Meas. Tech.
ChEMBL_855989 (CHEMBL2161990)
Ki
27000±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:
BDBM50393643
Synonyms:
CHEMBL2158698
Type:
Small organic molecule
Emp. Form.:
C33H60N
Mol. Mass.:
470.8357
SMILES:
CCCCCCCCCCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC |r,wU:22.22,wD:25.29,(13.61,-48.19,;14.36,-46.84,;15.9,-46.82,;16.65,-45.48,;18.19,-45.46,;18.94,-44.12,;20.48,-44.1,;21.24,-42.75,;22.78,-42.73,;23.53,-41.39,;25.07,-41.37,;25.82,-40.03,;27.36,-40.01,;28.11,-38.66,;29.65,-38.64,;30.41,-37.3,;31.95,-37.28,;32.7,-35.93,;34.24,-35.91,;35.03,-37.23,;34.28,-38.58,;32.74,-38.6,;36.57,-37.2,;37.31,-35.85,;38.85,-35.83,;39.64,-37.16,;38.89,-38.5,;37.36,-38.52,;41.18,-37.13,;42.51,-36.35,;40.78,-35.64,;41.97,-38.46,;43.51,-38.44,;44.3,-39.76,)|
Structure:
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