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Ligand · XTW

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

XTW, 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol (C18 H16 Cl N3 O2, 341.8 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
XTW
Formula
C18 H16 Cl N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XTW in 2 structures; the first of them:

  • 5UGT · Crystal structure of M. tuberculosis InhA inhibited by PT504 · XTW A302 · binds GLY96, PHE97, MET98, MET103, PHE149, PRO156, ALA157, TYR158 and 11 more
  • 5UGT · Crystal structure of M. tuberculosis inha inhibited by PT504 · XTW A302 · binds GLY96, PHE97, MET98, MET103, PHE149, PRO156, ALA157, TYR158 and 7 more

Residues it binds most

MET 8, PHE 8, ALA 8, PRO 8, GLU 8, GLY 8, LEU 8, TYR 8, ILE 6, LYS 6 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide

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