Reaction Details |
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Target | Plasmepsin II |
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Ligand | BDBM50344447 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_747699 (CHEMBL1780854) |
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Ki | 2000±n/a nM |
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Citation | McKay, PB; Peters, MB; Carta, G; Flood, CT; Dempsey, E; Bell, A; Berry, C; Lloyd, DG; Fayne, D Identification of plasmepsin inhibitors as selective anti-malarial agents using ligand based drug design. Bioorg Med Chem Lett21:3335-41 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Plasmepsin II |
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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: | MDITVREHDFKHGFIKSNSTFDGLNIDNSKNKKKIQKGFQILYVLLFCSVMCGLFYYVYE
NVWLQRDNEMNEILKNSEHLTIGFKVENAHDRILKTIKTHKLKNYIKESVNFLNSGLTKT
NYLGSSNDNIELVDFQNIMFYGDAEVGDNQQPFTFILDTGSANLWVPSVKCTTAGCLTKH
LYDSSKSRTYEKDGTKVEMNYVSGTVSGFFSKDLVTVGNLSLPYKFIEVIDTNGFEPTYT
ASTFDGILGLGWKDLSIGSVDPIVVELKNQNKIENALFTFYLPVHDKHTGFLTIGGIEER
FYEGPLTYEKLNHDLYWQITLDAHVGNIMLEKANCIVDSGTSAITVPTDFLNKMLQNLDV
IKVPFLPFYVTLCNNSKLPTFEFTSENGKYTLEPEYYLQHIEDVGPGLCMLNIIGLDFPV
PTFILGDPFMRKYFTVFDYDNHSVGIALAKKNL
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BDBM50344447 |
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n/a |
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Name | BDBM50344447 |
Synonyms: | CHEMBL1780016 | methyl-5-(diethylcarbamoyl)-4-methyl-2-(2-m-tolylquinoline-4-carboxamido)thiophene-3-carboxylate |
Type | Small organic molecule |
Emp. Form. | C29H29N3O4S |
Mol. Mass. | 515.623 |
SMILES | CCN(CC)C(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2cccc(C)c2)c(C(=O)OC)c1C |
Structure |
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