Target
Sphingosine kinase 2
Ligand
BDBM50443384
Substrate
n/a
Meas. Tech.
ChEMBL_1276445 (CHEMBL3088541)
IC50
5200±n/a nM
Citation
 Baek, DJMacRitchie, NAnthony, NGMackay, SPPyne, SPyne, NJBittman, R Structure-activity relationships and molecular modeling of sphingosine kinase inhibitors. J Med Chem 56:9310-27 (2013) [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:
BDBM50443384
Synonyms:
CHEMBL3086799
Type:
Small organic molecule
Emp. Form.:
C21H35NO
Mol. Mass.:
317.5087
SMILES:
CCCCCCCCc1ccc(CCN2CCC[C@@H]2CO)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: