Reaction Details Report a problem with these data
Target
Plasmepsin II
Ligand
BDBM50513863
Substrate
n/a
Meas. Tech.
ChEMBL_1854571 (CHEMBL4355300)
Ki
50±n/a nM
Citation
 Bobrovs, R; Jaudzems, K; Jirgensons, A Exploiting Structural Dynamics To Design Open-Flap Inhibitors of Malarial Aspartic Proteases. J Med Chem 62:8931-8950 (2019) [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:
BDBM50513863
Synonyms:
CHEMBL4472368
Type:
Small organic molecule
Emp. Form.:
C20H12Cl3F3N2O5S
Mol. Mass.:
555.739
SMILES:
OS(=O)(=O)c1cc(Cl)c(cc1NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)C(F)(F)F
Structure:
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