Reaction Details Report a problem with these data
Target
Plasmepsin II
Ligand
BDBM50076294
Substrate
n/a
Meas. Tech.
ChEMBL_154909 (CHEMBL764684)
Ki
4±n/a nM
Citation
 Haque, TS; Skillman, AG; Lee, CE; Habashita, H; Gluzman, IY; Ewing, TJ; Goldberg, DE; Kuntz, ID; Ellman, JA Potent, low-molecular-weight non-peptide inhibitors of malarial aspartyl protease plasmepsin II. J Med Chem 42:1428-40 (1999) [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:
BDBM50076294
Synonyms:
1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-{(2S,3S)-3-[2-(3-chloro-phenoxy)-acetylamino]-2-hydroxy-4-phenyl-butyl}-amide | CHEMBL290115
Type:
Small organic molecule
Emp. Form.:
C35H40ClN3O7
Mol. Mass.:
650.161
SMILES:
CC(=O)N1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1
Structure:
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