Reaction Details Report a problem with these data
Target
Plasmepsin II
Ligand
BDBM50344449
Substrate
n/a
Meas. Tech.
ChEMBL_747699 (CHEMBL1780854)
Ki
4000±n/a nM
Citation
 McKay, PB; Peters, MB; Carta, G; Flood, CT; Dempsey, E; Bell, A; Berry, C; Lloyd, DG; Fayne, D Identification of plasmepsin inhibitors as selective anti-malarial agents using ligand based drug design. Bioorg Med Chem Lett 21:3335-41 (2011) [PubMed]  Article 
Target
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:
MDITVREHDFKHGFIKSNSTFDGLNIDNSKNKKKIQKGFQILYVLLFCSVMCGLFYYVYENVWLQRDNEMNEILKNSEHLTIGFKVENAHDRILKTIKTHKLKNYIKESVNFLNSGLTKTNYLGSSNDNIELVDFQNIMFYGDAEVGDNQQPFTFILDTGSANLWVPSVKCTTAGCLTKHLYDSSKSRTYEKDGTKVEMNYVSGTVSGFFSKDLVTVGNLSLPYKFIEVIDTNGFEPTYTASTFDGILGLGWKDLSIGSVDPIVVELKNQNKIENALFTFYLPVHDKHTGFLTIGGIEERFYEGPLTYEKLNHDLYWQITLDAHVGNIMLEKANCIVDSGTSAITVPTDFLNKMLQNLDVIKVPFLPFYVTLCNNSKLPTFEFTSENGKYTLEPEYYLQHIEDVGPGLCMLNIIGLDFPVPTFILGDPFMRKYFTVFDYDNHSVGIALAKKNL
  
Inhibitor
Name:
BDBM50344449
Synonyms:
CHEMBL1780018 | ethyl 4-(5-(4-tert-butylbenzylidene)-2-(4-(ethoxycarbonyl)phenylimino)-4-oxothiazolidin-3-yl)benzoate
Type:
Small organic molecule
Emp. Form.:
C32H32N2O5S
Mol. Mass.:
556.672
SMILES:
CCOC(=O)c1ccc(cc1)\N=C1/S\C(=C/c2ccc(cc2)C(C)(C)C)C(=O)N1c1ccc(cc1)C(=O)OCC
Structure:
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