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Ligand · XMY

XMY · (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one

XMY, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one (C26 H28 Br F3 N4 O2, 565.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every…

Component
XMY
Formula
C26 H28 Br F3 N4 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

XMY in 2 structures; the first of them:

  • 7T0A · Cryptococcus neoformans protein farnesyltransferase co-crystallized with FPP and… · XMY B605 · binds TYR109, LEU84, TRP90, TRP94, LEU141, ARG197, TYR200, CYS201 and 10 more
  • 8E9E · Rat protein farnesyltransferase in complex with FPP and inhibitor 2f · XMY B503 · binds TYR166, TYR93, LEU96, SER99, TRP102, TRP106, ARG202, ASP297 and 7 more

Residues it binds most

TYR 2, TRP 2, CYS 2, ASP 2, HIS 2, LEU 2, ARG 2, GLY 1, SER 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • 3FX · (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
  • FPP · Farnesyl diphosphate
  • SO4 · Sulfate ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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