Reaction Details Report a problem with these data
Target
Sphingosine kinase 2
Ligand
BDBM50443388
Substrate
n/a
Meas. Tech.
ChEMBL_1890504 (CHEMBL4392258)
Ki
1300±n/a nM
Citation
 Adams, DR; Tawati, S; Berretta, G; Rivas, PL; Baiget, J; Jiang, Z; Alsfouk, A; Mackay, SP; Pyne, NJ; Pyne, S Topographical Mapping of Isoform-Selectivity Determinants for J-Channel-Binding Inhibitors of Sphingosine Kinases 1 and 2. J Med Chem 62:3658-3676 (2019) [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:
BDBM50443388
Synonyms:
CHEMBL3086782 | US9688668, SLR080811
Type:
Small organic molecule
Emp. Form.:
C21H31N5O
Mol. Mass.:
369.5037
SMILES:
CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r|
Structure:
Search PDB for entries with ligand similarity: