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Literature summary extracted from

  • Hartman, A.M.; Mondal, M.; Radeva, N.; Klebe, G.; Hirsch, A.K.
    Structure-based optimization of inhibitors of the aspartic protease endothiapepsin (2015), Int. J. Mol. Sci., 16, 19184-19194 .
    View publication on PubMedView publication on EuropePMC

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.4.23.22 (2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-(2,4,6-trimethylphenyl)methylidene]propanehydrazide
-
 Cryphonectria parasitica
3.4.23.22 (2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-(2-methylphenyl)methylidene]propanehydrazide
-
 Cryphonectria parasitica
3.4.23.22 (2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-phenylmethylidene]propanehydrazide
-
 Cryphonectria parasitica
3.4.23.22 (2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-[3-(trifluoromethyl)phenyl]methylidene]propanehydrazide
-
 Cryphonectria parasitica
3.4.23.22 (2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-[4-(trifluoromethyl)phenyl]methylidene]propanehydrazide
-
 Cryphonectria parasitica
3.4.23.22 (2S)-2-amino-N'-[(E)-(2,6-dimethylphenyl)methylidene]-3-(1H-indol-3-yl)propanehydrazide
-
 Cryphonectria parasitica
3.4.23.22 (2S)-2-amino-N'-[(E)-(2-bromophenyl)methylidene]-3-(1H-indol-3-yl)propanehydrazide
-
 Cryphonectria parasitica
3.4.23.22 (2S)-2-amino-N'-[(E)-(2-fluorophenyl)methylidene]-3-(1H-indol-3-yl)propanehydrazide
-
 Cryphonectria parasitica
3.4.23.22 (2S)-2-amino-N'-[(E)-(2-hydroxy-3-methylphenyl)methylidene]-3-(1H-indol-3-yl)propanehydrazide
-
 Cryphonectria parasitica
3.4.23.22 (S)-2-amino-3-(1H-indol-3-yl)propanehydrazide
-
 Cryphonectria parasitica
3.4.23.22 2,6-dimethylbenzaldehyde
-
 Cryphonectria parasitica
3.4.23.22 2-Bromobenzaldehyde
-
 Cryphonectria parasitica
3.4.23.22 2-Fluorobenzaldehyde
-
 Cryphonectria parasitica
3.4.23.22 2-hydroxy-3-methylbenzaldehyde
-
 Cryphonectria parasitica
3.4.23.22 2-Methylbenzaldehyde
-
 Cryphonectria parasitica
3.4.23.22 3-(trifluoromethyl)benzaldehyde
-
 Cryphonectria parasitica
3.4.23.22 4-(trifluoromethyl)benzaldehyde
-
 Cryphonectria parasitica
3.4.23.22 benzaldehyde
-
 Cryphonectria parasitica

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
3.4.23.22 0.0016
-
 Abz-Thr-Ile-Nle-4-nitro-Phe-Gln-Arg-NH2 at pH 4.6, temperature not specified in the publication Cryphonectria parasitica

Organism

EC Number Organism UniProt Comment Textmining
3.4.23.22 Cryphonectria parasitica P11838
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
3.4.23.22
-
 Cryphonectria parasitica

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3.4.23.22 Abz-Thr-Ile-Nle-4-nitro-Phe-Gln-Arg-NH2 + H2O
-
 Cryphonectria parasitica Abz-Thr-Ile-Nle + 4-nitro-Phe-Gln-Arg-NH2
-
 ?

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
3.4.23.22 0.007
-
 pH and temperature not specified in the publication Cryphonectria parasitica (2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-[4-(trifluoromethyl)phenyl]methylidene]propanehydrazide
3.4.23.22 0.0128
-
 pH and temperature not specified in the publication Cryphonectria parasitica (2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-(2,4,6-trimethylphenyl)methylidene]propanehydrazide
3.4.23.22 0.03
-
 pH and temperature not specified in the publication Cryphonectria parasitica (2S)-2-amino-N'-[(E)-(2,6-dimethylphenyl)methylidene]-3-(1H-indol-3-yl)propanehydrazide
3.4.23.22 0.036
-
 pH and temperature not specified in the publication Cryphonectria parasitica (2S)-2-amino-N'-[(E)-(2-hydroxy-3-methylphenyl)methylidene]-3-(1H-indol-3-yl)propanehydrazide
3.4.23.22 0.038
-
 pH and temperature not specified in the publication Cryphonectria parasitica (2S)-2-amino-N'-[(E)-(2-fluorophenyl)methylidene]-3-(1H-indol-3-yl)propanehydrazide
3.4.23.22 0.049
-
 pH and temperature not specified in the publication Cryphonectria parasitica (2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-phenylmethylidene]propanehydrazide
3.4.23.22 0.0545
-
 pH and temperature not specified in the publication Cryphonectria parasitica (2S)-2-amino-N'-[(E)-(2-bromophenyl)methylidene]-3-(1H-indol-3-yl)propanehydrazide
3.4.23.22 0.059
-
 pH and temperature not specified in the publication Cryphonectria parasitica (2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-(2-methylphenyl)methylidene]propanehydrazide
3.4.23.22 0.244
-
 pH and temperature not specified in the publication Cryphonectria parasitica (2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-[3-(trifluoromethyl)phenyl]methylidene]propanehydrazide