Reaction Details Report a problem with these data
Target
Plasmepsin II
Ligand
BDBM8087
Substrate
Peptide Substrate
Meas. Tech.
Enzyme Inhibition Measurements
pH
4.5±n/a
Temperature
295.15±n/a K
Ki
1100±n/a nM
Citation
 Noteberg, D; Schaal, W; Hamelink, E; Vrang, L; Larhed, M High-speed optimization of inhibitors of the malarial proteases plasmepsin I and II. J Comb Chem 5:456-64 (2003) [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:
BDBM8087
Synonyms:
(2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carbamoylethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-2-[(2E)-3-(1H-imidazol-5-yl)prop-2-enamido]-3-methylbutanamide | hydroxylethylamine scaffold 56 | hydroxylethylamine scaffold 5{6}
Type:
Small organic molecule
Emp. Form.:
C30H37BrN6O4
Mol. Mass.:
625.557
SMILES:
CC(C)[C@H](NC(=O)C=Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r,w:7.6|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
3501.67
Organism:
n/a
Description:
n/a
Residue:
31
Sequence:
DACYLGLARGNLEPHELESERPHEPREDANS