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Literature summary for 2.3.1.97 extracted from

  • Rackham, M.; Yu, Z.; Brannigan, J.; Heal, W.; Paape, D.; Barker, K.; Wilkinson, A.; Smith, D.; Leatherbarrow, R.; Tate, E.
    Discovery of high affinity inhibitors of Leishmania donovani N-myristoyltransferase (2015), MedChemComm, 6, 1761-1766.
    View publication on PubMedView publication on EuropePMC
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Crystallization (Commentary)

Crystallization (Comment) Organism
in complex with inhibitor 4-(4-chloro-2-[5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]phenoxy)piperidine. The basic piperidine moiety forms a polar interaction with the carboxylate of the C-terminal residue, Leu421 and a water-mediated interaction with Tyr92, mimicking the N-terminus of substrate peptides. In addition, the trimethyl pyrazole substituent forms pi-pi and polar interactions with Phe90 and Ser330, respectively Leishmania donovani

Inhibitors

Inhibitors Comment Organism Structure
4-(4-chloro-2-[5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]phenoxy)piperidine high affinity inhibitor of Leishmania donovani, does not not display significant selectivity for Leishmania donovania over the human enzyme. Compound does not display any macrophage toxicity up to 0.09 mM Leishmania donovani

Organism

Organism UniProt Comment Textmining
Leishmania donovani D0AB09
-
-

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.00001
-
 4-(4-chloro-2-[5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]phenoxy)piperidine pH not specified in the publication, temperature not specified in the publication Leishmania donovani