Reaction Details Report a problem with these data
Target
Plasmepsin IV [1-448]
Ligand
BDBM50513843
Substrate
n/a
Meas. Tech.
ChEMBL_1854568 (CHEMBL4355297)
IC50
760±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:
BDBM50513843
Synonyms:
CHEMBL4456617
Type:
Small organic molecule
Emp. Form.:
C33H42N2O2S
Mol. Mass.:
530.764
SMILES:
O=S(=O)(C1C2CCC(N2)C1NCc1ccc2ccccc2c1)c1ccc(CCCCC2CCCCC2)cc1 |TLB:10:9:8:6.5,THB:1:3:8:6.5|
Structure:
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