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Target
Plasmepsin II
Ligand
BDBM50432240
Substrate
n/a
Meas. Tech.
ChEMBL_950960 (CHEMBL2350286)
IC50
4620±n/a nM
Citation
 Song, Y; Jin, H; Liu, X; Zhu, L; Huang, J; Li, H Discovery of non-peptide inhibitors of Plasmepsin II by structure-based virtual screening. Bioorg Med Chem Lett 23:2078-82 (2013) [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:
BDBM50432240
Synonyms:
CHEMBL2347359
Type:
Small organic molecule
Emp. Form.:
C40H32N10
Mol. Mass.:
652.7491
SMILES:
Cc1ccccc1NC(=NN=Cc1ccc2ccc3ccc(C=NN=C(Nc4ccccc4C)c4ccccn4)nc3c2n1)c1ccccn1 |w:11.12,9.10,22.22,24.24|
Structure:
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