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Literature summary for 3.4.23.39 extracted from

  • Luksch, T.; Chan, N.S.; Brass, S.; Sotriffer, C.A.; Klebe, G.; Diederich, W.E.
    Computer-aided design and synthesis of nonpeptidic plasmepsin II and IV inhibitors (2008), ChemMedChem, 3, 1323-1336.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
2,3,4,7-tetrahydro-1H-azepine-3,5-diyldimethanediyl bis(4-aminobenzoate) Ki value for human cathepsin D 0.142 mM Plasmodium falciparum
[5-([[(4-bromophenyl)carbonyl]oxy]methyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl]methyl 4-aminobenzoate Ki value for human cathepsin D 0.165 mM Plasmodium falciparum
[6-([[(4-aminophenyl)carbonyl]oxy]methyl)-2,5,6,7-tetrahydro-1H-azepin-4-yl]methyl 7aH-indole-3-carboxylate Ki value for human cathepsin D above 0.1 mM Plasmodium falciparum
[6-([[(4-aminophenyl)carbonyl]oxy]methyl)-2,5,6,7-tetrahydro-1H-azepin-4-yl]methyl naphthalene-1-carboxylate Ki value for human cathepsin D 0.262 mM Plasmodium falciparum
[6-([[(4-nitrophenyl)carbonyl]oxy]methyl)-2,5,6,7-tetrahydro-1H-azepin-4-yl]methyl naphthalene-1-carboxylate Ki value for human cathepsin D 0.051 mM Plasmodium falciparum

Localization

Localization Comment Organism GeneOntology No. Textmining

Organism

Organism UniProt Comment Textmining
Plasmodium falciparum P46925
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
Arg-Gln-Phe-Phe(p-NO2)-Ile-Thr + H2O
-
Plasmodium falciparum Arg-Gln-Phe + Phe(p-NO2)-Ile-Thr
-
?

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0004
-
[5-([[(4-bromophenyl)carbonyl]oxy]methyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl]methyl 4-aminobenzoate
-
Plasmodium falciparum
0.0008
-
2,3,4,7-tetrahydro-1H-azepine-3,5-diyldimethanediyl bis(4-aminobenzoate)
-
Plasmodium falciparum
0.001
-
[6-([[(4-aminophenyl)carbonyl]oxy]methyl)-2,5,6,7-tetrahydro-1H-azepin-4-yl]methyl naphthalene-1-carboxylate
-
Plasmodium falciparum
0.0013
-
[6-([[(4-nitrophenyl)carbonyl]oxy]methyl)-2,5,6,7-tetrahydro-1H-azepin-4-yl]methyl naphthalene-1-carboxylate
-
Plasmodium falciparum
0.0024
-
[6-([[(4-aminophenyl)carbonyl]oxy]methyl)-2,5,6,7-tetrahydro-1H-azepin-4-yl]methyl 7aH-indole-3-carboxylate
-
Plasmodium falciparum