Reaction Details Report a problem with these data
Target
Plasmepsin II
Ligand
BDBM234545
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
4.5±n/a
Temperature
298.15±n/a K
IC50
48.8±n/a nM
Comments
extracted
Citation
 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Compositions and methods for the treatment of malaria US Patent  US9353089 Publication Date 5/31/2016 
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:
BDBM234545
Synonyms:
US9353089, 302
Type:
Small organic molecule
Emp. Form.:
C24H24N4O3
Mol. Mass.:
416.4724
SMILES:
COc1ccc(cc1)C1(NC(=N)N(Cc2ncccc2C)C1=O)c1ccc(OC)cc1
Structure:
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