Reaction Details Report a problem with these data
Target
Plasmepsin IV, putative
Ligand
BDBM50299001
Substrate
n/a
Meas. Tech.
ChEMBL_588259 (CHEMBL1050916)
Ki
2200±n/a nM
Citation
 Orrling, KM; Marzahn, MR; Gutiérrez-de-Terán, H; Aqvist, J; Dunn, BM; Larhed, M alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases. Bioorg Med Chem 17:5933-49 (2009) [PubMed]  Article 
Target
Name:
Plasmepsin IV, putative
Synonyms:
Aspartic protease PM4
Type:
PROTEIN
Mol. Mass.:
51656.81
Organism:
Plasmodium vivax
Description:
ChEMBL_588259
Residue:
450
Sequence:
MDIAVKEQDYSNGLIKNSAAFENLKFSNIKNFKVQKRFQILYYILFVFVTGIFFFFLISTYFFTPNYKVNKIVQNTEHLTLAFKIERPYDKVLKTISKKNLKNYIKETFNFFKSGYMKQNYLGSENDVIELDDVANIMFYGEGEVGDNHQKFMLIFDTGSANLWVPSKKCNSSGCSIKNLYDSSKSKSYEKDGTKVDITYGSGTVKGFFSKDLVTLGHLSMPYKFIEVTDTDDLEPIYSSVEFDGILGLGWKDLSIGSIDPIVVELKNQNKIDNALFTFYLPVHDVHAGYLTIGGIEEKFYEGNITYEKLNHDLYWQIDLDVHFGKQTMEKANVIVDSGTTTITAPSEFLNKFFANLNVIKVPFLPFYVTTCDNKEMPTLEFKSANNTYTLEPEYYMNPILEVDDTLCMITMLPVDIDSNTFILGDPFMRKYFTVFDYDKESVGFAIAKN
  
Inhibitor
Name:
BDBM50299001
Synonyms:
(A)-(2S)-1-(2-((2-(2,6-dimethylphenoxy)acetamido)methyl)-2-hydroxy-4-phenylbutanoyl)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide | (B)-(2S)-1-(2-((2-(2,6-dimethylphenoxy)acetamido)methyl)-2-hydroxy-4-phenylbutanoyl)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide | CHEMBL584193
Type:
Small organic molecule
Emp. Form.:
C35H41N3O6
Mol. Mass.:
599.7165
SMILES:
Cc1cccc(C)c1OCC(=O)NCC(O)(CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: