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Literature summary for 3.4.22.B5 extracted from

  • Scala, A.; Rescifina, A.; Micale, N.; Piperno, A.; Schirmeister, T.; Maes, L.; Grassi, G.
    Ensemble-based ADME-Tox profiling and virtual screening for the discovery of new inhibitors of the Leishmania mexicana cysteine protease CPB2.8DELTACTE (2018), Chem. Biol. Drug Des., 91, 597-604 .
    View publication on PubMed
Search for more literature for 3.4.22.B5

Inhibitors

Inhibitors Comment Organism Structure
additional information benzo[b]thiophenes act immediately as noncovalent inhibitors and then as irreversible covalent inhibitors, whereas a reversible covalent mechanism emerges for the 1,3,3'-triketones with a Y-topology Leishmania mexicana
N-[1-(4'-chloro-5-hydroxy-3-oxo[1,2,3,6-tetrahydro[1,1'-biphenyl]]-4-yl)-1-oxopropan-2-yl]benzamide drug-like, non-mutagen, non-carcinogen, and non-neurotoxic lead candidate Leishmania mexicana

Organism

Organism UniProt Comment Textmining
Leishmania mexicana P36400
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin + H2O
-
 Leishmania mexicana ?
-
 ?

Synonyms

Synonyms Comment Organism
CPB
-
 Leishmania mexicana
CPB2.8
-
 Leishmania mexicana

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.00082
-
 N-[1-(4'-chloro-5-hydroxy-3-oxo[1,2,3,6-tetrahydro[1,1'-biphenyl]]-4-yl)-1-oxopropan-2-yl]benzamide recombinant form of the amastigote-specific isoform CPB2.8 without the C-terminal extension, pH not specified in the publication, temperature not specified in the publication Leishmania mexicana

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00245
-
 recombinant form of the amastigote-specific isoform CPB2.8 without the C-terminal extension, pH not specified in the publication, temperature not specified in the publication Leishmania mexicana N-[1-(4'-chloro-5-hydroxy-3-oxo[1,2,3,6-tetrahydro[1,1'-biphenyl]]-4-yl)-1-oxopropan-2-yl]benzamide