Reaction Details Report a problem with these data
Target
Sphingosine kinase 2
Ligand
BDBM50393646
Substrate
n/a
Meas. Tech.
ChEMBL_855990 (CHEMBL2161991)
Ki
11000±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:
BDBM50393646
Synonyms:
CHEMBL2158695
Type:
Small organic molecule
Emp. Form.:
C28H50N
Mol. Mass.:
400.7028
SMILES:
CCCCCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC |r,wU:17.17,wD:20.24,(-15.05,-41.94,;-13.51,-41.92,;-12.76,-40.58,;-11.22,-40.56,;-10.46,-39.22,;-8.92,-39.2,;-8.17,-37.85,;-6.63,-37.83,;-5.87,-36.49,;-4.33,-36.47,;-3.58,-35.13,;-2.04,-35.11,;-1.29,-33.76,;.25,-33.74,;1.04,-35.06,;.29,-36.41,;-1.25,-36.43,;2.58,-35.03,;3.32,-33.68,;4.86,-33.66,;5.66,-34.98,;4.9,-36.33,;3.37,-36.35,;7.2,-34.96,;8.52,-34.18,;6.79,-33.47,;7.98,-36.28,;9.52,-36.26,;10.31,-37.59,)|
Structure:
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