Reaction Details Report a problem with these data
Target
Sphingosine kinase 2
Ligand
BDBM50393644
Substrate
n/a
Meas. Tech.
ChEMBL_855990 (CHEMBL2161991)
Ki
7000±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 2
Synonyms:
SK 2 | SK2 | SPHK2 | SPHK2_HUMAN | SPK 2 | Sphingosine kinase 2 | Sphingosine kinase types 2 (SphK2)
Type:
Protein
Mol. Mass.:
69221.44
Organism:
Homo sapiens (Human)
Description:
Q9NRA0
Residue:
654
Sequence:
MNGHLEAEEQQDQRPDQELTGSWGHGPRSTLVRAKAMAPPPPPLAASTPLLHGEFGSYPARGPRFALTLTSQALHIQRLRPKPEARPRGGLVPLAEVSGCCTLRSRSPSDSAAYFCIYTYPRGRRGARRRATRTFRADGAATYEENRAEAQRWATALTCLLRGLPLPGDGEITPDLLPRPPRLLLLVNPFGGRGLAWQWCKNHVLPMISEAGLSFNLIQTERQNHARELVQGLSLSEWDGIVTVSGDGLLHEVLNGLLDRPDWEEAVKMPVGILPCGSGNALAGAVNQHGGFEPALGLDLLLNCSLLLCRGGGHPLDLLSVTLASGSRCFSFLSVAWGFVSDVDIQSERFRALGSARFTLGTVLGLATLHTYRGRLSYLPATVEPASPTPAHSLPRAKSELTLTPDPAPPMAHSPLHRSVSDLPLPLPQPALASPGSPEPLPILSLNGGGPELAGDWGGAGDAPLSPDPLLSSPPGSPKAALHSPVSEGAPVIPPSSGLPLPTPDARVGASTCGPPDHLLPPLGTPLPPDWVTLEGDFVLMLAISPSHLGADLVAAPHARFDDGLVHLCWVRSGISRAALLRLFLAMERGSHFSLGCPQLGYAAARAFRLEPLTPRGVLTVDGEQVEYGPLQAQMHPGIGTLLTGPPGCPGREP
  
Inhibitor
Name:
BDBM50393644
Synonyms:
CHEMBL2158697
Type:
Small organic molecule
Emp. Form.:
C31H56N
Mol. Mass.:
442.7825
SMILES:
CCCCCCCCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC |r,wU:20.20,wD:23.27,(-17.8,-51.88,;-17.06,-50.54,;-15.52,-50.52,;-14.76,-49.17,;-13.22,-49.15,;-12.47,-47.81,;-10.92,-47.79,;-10.17,-46.45,;-8.63,-46.43,;-7.88,-45.08,;-6.34,-45.06,;-5.59,-43.72,;-4.05,-43.7,;-3.29,-42.36,;-1.75,-42.34,;-1,-40.99,;.54,-40.97,;1.33,-42.28,;.58,-43.64,;-.97,-43.66,;2.87,-42.26,;3.61,-40.91,;5.15,-40.89,;5.94,-42.21,;5.19,-43.56,;3.66,-43.58,;7.48,-42.19,;8.81,-41.41,;7.08,-40.69,;8.27,-43.51,;9.81,-43.49,;10.6,-44.82,)|
Structure:
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