Reaction Details Report a problem with these data
Target
Sphingosine kinase 2
Ligand
BDBM50393648
Substrate
n/a
Meas. Tech.
ChEMBL_855990 (CHEMBL2161991)
Ki
43000±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:
BDBM50393648
Synonyms:
CHEMBL2158693
Type:
Small organic molecule
Emp. Form.:
C23H40N
Mol. Mass.:
330.5699
SMILES:
CCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC |r,wU:12.12,wD:15.19,(17.92,-22.42,;18.67,-21.07,;20.21,-21.05,;20.97,-19.71,;22.51,-19.69,;23.26,-18.35,;24.8,-18.33,;25.55,-16.98,;27.09,-16.96,;27.88,-18.27,;27.13,-19.63,;25.59,-19.65,;29.42,-18.24,;30.16,-16.9,;31.71,-16.88,;32.5,-18.2,;31.74,-19.55,;30.21,-19.57,;34.04,-18.18,;35.37,-17.4,;33.63,-16.68,;34.82,-19.5,;36.36,-19.48,;37.15,-20.81,)|
Structure:
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