Reaction Details Report a problem with these data
Target
Plasmepsin IV [1-448]
Ligand
BDBM50513826
Substrate
n/a
Meas. Tech.
ChEMBL_1854568 (CHEMBL4355297)
IC50
10.0±n/a nM
Citation
 Bobrovs, R; Jaudzems, K; Jirgensons, A Exploiting Structural Dynamics To Design Open-Flap Inhibitors of Malarial Aspartic Proteases. J Med Chem 62:8931-8950 (2019) [PubMed]  Article 
Target
Name:
Plasmepsin IV [1-448]
Synonyms:
PLM4_PLAF7 | PMIV | Plasmepsin 4 (PM-IV)
Type:
Enzyme
Mol. Mass.:
50925.00
Organism:
Plasmodium falciparum
Description:
Q8IM16[1-448]
Residue:
448
Sequence:
MALTVKEEEFSNTLIKNASAFDRLKLGNLKNLKIQKKLQFLYLILFVLITGVFFFFLIGNFYSHRKLYQVIKNTKHTTIGFKIDRPHDKVLSSVLKNKLSTYVKESFKFFKSGYAQKGYLGSENDSIELDDVANLMFYGEGQIGTNKQPFMFIFDTGSANLWVPSVNCDSIGCSTKHLYDASASKSYEKDGTKVEISYGSGTVRGYFSKDVISLGDLSLPYKFIEVTDADDLEPIYSGSEFDGILGLGWKDLSIGSIDPVVVELKKQNKIDNALFTFYLPVHDKHVGYLTIGGIESDFYEGPLTYEKLNHDLYWQIDLDIHFGKYVMQKANAVVDSGTSTITAPTSFLNKFFRDMNVIKVPFLPLYVTTCDNDDLPTLEFHSRNNKYTLEPEFYMDPLSDIDPALCMLYILPVDIDDNTFILGDPFMRKYFTVFDYEKESVGFAVAKN
  
Inhibitor
Name:
BDBM50513826
Synonyms:
CHEMBL4442042
Type:
Small organic molecule
Emp. Form.:
C25H35Br3N2O2S
Mol. Mass.:
667.335
SMILES:
Br.Br.[H][C@@]12CC[C@@]([H])(N1)[C@@H]([C@@H]2NCc1cccc(Br)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 |r,THB:11:10:5.4:8|
Structure:
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