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Target
Sphingosine kinase 1
Ligand
BDBM50359977
Substrate
n/a
Meas. Tech.
ChEMBL_855989 (CHEMBL2161990)
Ki
22000±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:
BDBM50359977
Synonyms:
CHEMBL1927590
Type:
Small organic molecule
Emp. Form.:
C25H44N
Mol. Mass.:
358.623
SMILES:
CCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC |r,wU:14.14,wD:17.21,(13.28,-44.88,;11.94,-45.65,;10.61,-44.88,;9.28,-45.65,;7.95,-44.88,;6.62,-45.65,;5.29,-44.88,;3.95,-45.65,;2.62,-44.88,;2.62,-43.35,;1.29,-42.58,;-.04,-43.35,;-.04,-44.88,;1.29,-45.65,;-1.37,-42.58,;-2.7,-43.35,;-4.04,-42.58,;-4.04,-41.04,;-2.7,-40.27,;-1.37,-41.04,;-5.37,-40.27,;-5.37,-38.73,;-6.7,-41.04,;-6.71,-39.49,;-6.71,-37.96,;-8.04,-37.19,)|
Structure:
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