Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetPlasmepsin II
LigandBDBM50010855
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1353679 (CHEMBL3271468)
IC50 14000±n/a nM
Citation Jaudzems, KTars, KMaurops, GIvdra, NOtikovs, MLeitans, JKanepe-Lapsa, IDomraceva, IMutule, ITrapencieris, PBlackman, MJJirgensons, A Plasmepsin inhibitory activity and structure-guided optimization of a potent hydroxyethylamine-based antimalarial hit. ACS Med Chem Lett5:373-7 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Plasmepsin II
Name:Plasmepsin II
Synonyms:Aspartic hemoglobinase II | PFAPD | PLM2_PLAFX | PMII | Plasmepsin 2 | Plasmepsin 2 (PM-II) | Plasmepsin-II
Type:Enzyme
Mol. Mass.:51482.09
Organism:Plasmodium falciparum
Description:P46925
Residue:453
Sequence:
MDITVREHDFKHGFIKSNSTFDGLNIDNSKNKKKIQKGFQILYVLLFCSVMCGLFYYVYE
NVWLQRDNEMNEILKNSEHLTIGFKVENAHDRILKTIKTHKLKNYIKESVNFLNSGLTKT
NYLGSSNDNIELVDFQNIMFYGDAEVGDNQQPFTFILDTGSANLWVPSVKCTTAGCLTKH
LYDSSKSRTYEKDGTKVEMNYVSGTVSGFFSKDLVTVGNLSLPYKFIEVIDTNGFEPTYT
ASTFDGILGLGWKDLSIGSVDPIVVELKNQNKIENALFTFYLPVHDKHTGFLTIGGIEER
FYEGPLTYEKLNHDLYWQITLDAHVGNIMLEKANCIVDSGTSAITVPTDFLNKMLQNLDV
IKVPFLPFYVTLCNNSKLPTFEFTSENGKYTLEPEYYLQHIEDVGPGLCMLNIIGLDFPV
PTFILGDPFMRKYFTVFDYDNHSVGIALAKKNL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50010855
n/a
NameBDBM50010855
Synonyms:CHEMBL3264796
TypeSmall organic molecule
Emp. Form.C38H52N4O6S
Mol. Mass.692.908
SMILESCCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCS1(=O)=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: