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Literature summary for 3.4.23.22 extracted from

  • Mondal, M.; Groothuis, D.; Hirsch, A.
    Fragment growing exploiting dynamic combinatorial chemistry of inhibitors of the aspartic protease endothiapepsin (2015), MedChemComm, 6, 1267-1271 .
No PubMed abstract available

Inhibitors

Inhibitors Comment Organism Structure
(2S)-2-amino-2-[4-(trifluoromethyl)phenyl]-N'-[(E)-[3-(trifluoromethyl)phenyl]methylidene]acetohydrazide
-
Cryphonectria parasitica
(2S)-2-amino-2-[4-(trifluoromethyl)phenyl]-N'-[(E)-[4-(trifluoromethyl)phenyl]methylidene]acetohydrazide
-
Cryphonectria parasitica
(2S)-2-amino-N'-[(1E)-2-methylbutylidene]-2-[4-(trifluoromethyl)phenyl]acetohydrazide
-
Cryphonectria parasitica
(2S)-2-amino-N'-[(E)-(2-hydroxy-3-methylphenyl)methylidene]-2-[4-(trifluoromethyl)phenyl]acetohydrazide
-
Cryphonectria parasitica
(2S)-2-amino-N'-[(E)-(3-methylphenyl)methylidene]-2-[4-(trifluoromethyl)phenyl]acetohydrazide
-
Cryphonectria parasitica
(2S)-2-amino-N'-[(E)-(pyridin-2-yl)methylidene]-2-[4-(trifluoromethyl)phenyl]acetohydrazide
-
Cryphonectria parasitica
(2S)-2-amino-N'-[(E)-cyclohexylmethylidene]-2-[4-(trifluoromethyl)phenyl]acetohydrazide
-
Cryphonectria parasitica
(S)-2-amino-2-(4-(trifluoromethyl)phenyl)acetohydrazide
-
Cryphonectria parasitica
(S)-2-amino-N'-(cyclopentylmethylene)-2-(4-(trifluoromethyl)phenyl)acetohydrazide trifluoro acetic acid
-
Cryphonectria parasitica
(S)-2-amino-N'-benzylidene-2-(4-(trifluoromethyl)phenyl)acetohydrazide
-
Cryphonectria parasitica
4-(trifluoromethyl)benzene-1-carboximidamide
-
Cryphonectria parasitica

Organism

Organism UniProt Comment Textmining
Cryphonectria parasitica P11838
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
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

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.085
-
pH and temperature not specified in the publication Cryphonectria parasitica (S)-2-amino-N'-(cyclopentylmethylene)-2-(4-(trifluoromethyl)phenyl)acetohydrazide trifluoro acetic acid
0.21
-
pH and temperature not specified in the publication Cryphonectria parasitica (S)-2-amino-N'-benzylidene-2-(4-(trifluoromethyl)phenyl)acetohydrazide