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Target
Plasmepsin I
Ligand
BDBM50173747
Substrate
n/a
Meas. Tech.
ChEMBL_320831 (CHEMBL871673)
Ki
35±n/a nM
Citation
 Ersmark, K; Nervall, M; Hamelink, E; Janka, LK; Clemente, JC; Dunn, BM; Blackman, MJ; Samuelsson, B; Aqvist, J; Hallberg, A Synthesis of malarial plasmepsin inhibitors and prediction of binding modes by molecular dynamics simulations. J Med Chem 48:6090-106 (2005) [PubMed]  Article 
Target
Name:
Plasmepsin I
Synonyms:
PFAPG | PLM1_PLAFX | PMI | Plasmepsin 1 | Plasmepsin-1 precursor
Type:
Enzyme
Mol. Mass.:
51463.30
Organism:
Plasmodium falciparum
Description:
n/a
Residue:
452
Sequence:
MALSIKEDFSSAFAKNESAVNSSTFNNNMKTWKIQKRFQILYVFFFLLITGALFYYLIDNVLFPKNKKINEIMNTSKHVIIGFSIENSHDRIMKTVKQHRLKNYIKESLKFFKTGLTQKPHLGNAGDSVTLNDVANVMYYGEAQIGDNKQKFAFIFDTGSANLWVPSAQCNTIGCKTKNLYDSNKSKTYEKDGTKVEMNYVSGTVSGFFSKDIVTIANLSFPYKFIEVTDTNGFEPAYTLGQFDGIVGLGWKDLSIGSVDPVVVELKNQNKIEQAVFTFYLPFDDKHKGYLTIGGIEDRFYEGQLTYEKLNHDLYWQVDLDLHFGNLTVEKATAIVDSGTSSITAPTEFLNKFFEGLDVVKIPFLPLYITTCNNPKLPTLEFRSATNVYTLEPEYYLQQIFDFGISLCMVSIIPVDLNKNTFILGDPFMRKYFTVFDYDNHTVGFALAKKKL
  
Inhibitor
Name:
BDBM50173747
Synonyms:
(1R,2R,3R,4R)-1,4-Bis-((E)-3-bromo-allyloxy)-1,4-bis-[5-(4-tert-butyl-phenyl)-[1,3,4]oxadiazol-2-yl]-butane-2,3-diol | CHEMBL373047
Type:
Small organic molecule
Emp. Form.:
C34H40Br2N4O6
Mol. Mass.:
760.513
SMILES:
CC(C)(C)c1ccc(cc1)-c1nnc(o1)[C@H](OC\C=C\Br)[C@H](O)[C@@H](O)[C@@H](OC\C=C\Br)c1nnc(o1)-c1ccc(cc1)C(C)(C)C
Structure:
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