| Reaction Details |
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 | Report a problem with these data |
| Target | Plasmepsin I |
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| Ligand | BDBM50173737 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_321024 (CHEMBL882865) |
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| Ki | 6±n/a nM |
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| 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 Chem48:6090-106 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Plasmepsin I |
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| Name: | Plasmepsin I |
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| Synonyms: | PFAPG | PLM1_PLAFX | PMI | Plasmepsin 1 | Plasmepsin-1 precursor |
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| Type: | Enzyme |
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| Mol. Mass.: | 51463.30 |
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| Organism: | Plasmodium falciparum |
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| Description: | n/a |
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| Residue: | 452 |
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| Sequence: | MALSIKEDFSSAFAKNESAVNSSTFNNNMKTWKIQKRFQILYVFFFLLITGALFYYLIDN
VLFPKNKKINEIMNTSKHVIIGFSIENSHDRIMKTVKQHRLKNYIKESLKFFKTGLTQKP
HLGNAGDSVTLNDVANVMYYGEAQIGDNKQKFAFIFDTGSANLWVPSAQCNTIGCKTKNL
YDSNKSKTYEKDGTKVEMNYVSGTVSGFFSKDIVTIANLSFPYKFIEVTDTNGFEPAYTL
GQFDGIVGLGWKDLSIGSVDPVVVELKNQNKIEQAVFTFYLPFDDKHKGYLTIGGIEDRF
YEGQLTYEKLNHDLYWQVDLDLHFGNLTVEKATAIVDSGTSSITAPTEFLNKFFEGLDVV
KIPFLPLYITTCNNPKLPTLEFRSATNVYTLEPEYYLQQIFDFGISLCMVSIIPVDLNKN
TFILGDPFMRKYFTVFDYDNHTVGFALAKKKL
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| BDBM50173737 |
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| n/a |
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| Name | BDBM50173737 |
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| Synonyms: | (2R,3R,4R,5R)-2,5-Bis-((E)-3-benzo[1,3]dioxol-5-yl-allyloxy)-3,4-dihydroxy-6-oxo-6-[N'-(3-phenyl-propionyl)-hydrazino]-hexanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide | CHEMBL372618 |
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| Type | Small organic molecule |
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| Emp. Form. | C44H45N3O12 |
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| Mol. Mass. | 807.841 |
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| SMILES | O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\c1ccc2OCOc2c1)C(=O)NNC(=O)CCc1ccccc1 |
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| Structure | 
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