Reaction Details Report a problem with these data
Target
Plasmepsin II
Ligand
BDBM579
Substrate
n/a
Meas. Tech.
ChEMBL_438604 (CHEMBL887761)
Ki
1000±n/a nM
Citation
 Hidaka, K; Kimura, T; Tsuchiya, Y; Kamiya, M; Ruben, AJ; Freire, E; Hayashi, Y; Kiso, Y Additional interaction of allophenylnorstatine-containing tripeptidomimetics with malarial aspartic protease plasmepsin II. Bioorg Med Chem Lett 17:3048-52 (2007) [PubMed]  Article 
Target
Name:
Plasmepsin II
Synonyms:
PFAPD | Aspartic hemoglobinase II | Plasmepsin-II | Plasmepsin 2 (PM-II) | Plasmepsin 2 | PLM2_PLAFX | PMII
Type:
Enzyme
Mol. Mass.:
51482.09
Organism:
Plasmodium falciparum
Description:
P46925
Residue:
453
Sequence:
MDITVREHDFKHGFIKSNSTFDGLNIDNSKNKKKIQKGFQILYVLLFCSVMCGLFYYVYENVWLQRDNEMNEILKNSEHLTIGFKVENAHDRILKTIKTHKLKNYIKESVNFLNSGLTKTNYLGSSNDNIELVDFQNIMFYGDAEVGDNQQPFTFILDTGSANLWVPSVKCTTAGCLTKHLYDSSKSRTYEKDGTKVEMNYVSGTVSGFFSKDLVTVGNLSLPYKFIEVIDTNGFEPTYTASTFDGILGLGWKDLSIGSVDPIVVELKNQNKIENALFTFYLPVHDKHTGFLTIGGIEERFYEGPLTYEKLNHDLYWQITLDAHVGNIMLEKANCIVDSGTSAITVPTDFLNKMLQNLDVIKVPFLPFYVTLCNNSKLPTFEFTSENGKYTLEPEYYLQHIEDVGPGLCMLNIIGLDFPVPTFILGDPFMRKYFTVFDYDNHSVGIALAKKNL
  
Inhibitor
Name:
BDBM579
Synonyms:
Kynostatin 272 | CHEMBL414640 | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[2-(isoquinolin-5-yloxy)acetamido]-3-(methylsulfanyl)propanamido]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide | iQoa-Mta-Apns-Thz-NH-tBu | KNI-272
Type:
Small organic molecule
Emp. Form.:
C33H41N5O6S2
Mol. Mass.:
667.25
SMILES:
CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r|
Structure:
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