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Ligand · XT0

XT0 · 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile

XT0, 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile (C21 H20 N4 O2, 360.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
XT0
Formula
C21 H20 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XT0 in 2 structures; the first of them:

  • 5MTR · Crystal structure of M. tuberculosis InhA inhibited by PT512 · XT0 A302 · binds ILE95, GLY96, PHE97, MET98, MET103, PHE149, MET155, PRO156 and 12 more
  • 5MTR · Crystal structure of M. tuberculosis inha inhibited by PT512 · XT0 A302 · binds GLY96, PHE97, MET98, MET103, PHE149, MET155, PRO156, ALA157 and 9 more

Residues it binds most

MET 16, PHE 16, ALA 16, ILE 15, LEU 16, PRO 16, GLN 16, GLY 16, LYS 16, TYR 16 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • CL · Chloride ion

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