Target
Plasmepsin II
Ligand
BDBM50323473
Substrate
n/a
Meas. Tech.
ChEMBL_644190 (CHEMBL1212089)
Ki
4.2±n/a nM
Citation
 Miura, THidaka, KUemura, TKashimoto, KHori, YKawasaki, YRuben, AJFreire, EKimura, TKiso, Y Improvement of both plasmepsin inhibitory activity and antimalarial activity by 2-aminoethylamino substitution. Bioorg Med Chem Lett 20:4836-9 (2010) [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:
BDBM50323473
Synonyms:
(R)-3-((2S,3S)-3-(2-(4-(ethyl(2-(ethylamino)ethyl)amino)-2,6-dimethylphenoxy)acetamido)-2-hydroxy-4-phenylbutanoyl)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylthiazolidine-4-carboxamide | CHEMBL1209500 | KNI-10758
Type:
Small organic molecule
Emp. Form.:
C41H55N5O6S
Mol. Mass.:
745.97
SMILES:
CCNCCN(CC)c1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r|
Structure:
Search PDB for entries with ligand similarity: