Literature summary 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.
Crystallization (Commentary)
EC Number |
Crystallization (Comment) |
Organism |
---|
2.3.1.97 |
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
EC Number |
Inhibitors |
Comment |
Organism |
Structure |
---|
2.3.1.97 |
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
EC Number |
Organism |
UniProt |
Comment |
Textmining |
---|
2.3.1.97 |
Leishmania donovani |
D0AB09 |
- |
- |
Ki Value [mM]
EC Number |
Ki Value [mM] |
Ki Value maximum [mM] |
Inhibitor |
Comment |
Organism |
Structure |
---|
2.3.1.97 |
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 |
|