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Ligand · XT5

XT5 · 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol

XT5, 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol (C19 H19 N3 O2, 321.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
XT5
Formula
C19 H19 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XT5 in 2 structures; the first of them:

  • 5UGS · Crystal structure of M. tuberculosis InhA inhibited by PT501 · XT5 A302 · binds GLY96, PHE97, MET98, MET103, PHE149, MET155, PRO156, ALA157 and 11 more
  • 5UGS · Crystal structure of M. tuberculosis inha inhibited by PT501 · XT5 A302 · binds GLY96, PHE97, MET98, MET103, PHE149, MET155, PRO156, ALA157 and 7 more

Residues it binds most

MET 12, ALA 13, PHE 12, LEU 14, PRO 12, GLY 12, ILE 12, TYR 12, LYS 11, GLN 10 (residue and the binding sites it lines).

Found with

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

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