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Ligand · XN4

XN4 · (5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one

XN4, (5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one (C26 H28 Cl F3 N4 O2, 521.0 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component
XN4
Formula
C26 H28 Cl F3 N4 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

XN4 in 1 structure; the first of them:

  • 7T0C · Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2e · XN4 B602 · binds TYR109, LEU84, SER87, TRP90, TRP94, ARG197, ASP323, CYS325 and 5 more

Residues it binds most

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

Found with

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

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