GL1X · GenesisL1 explorer

Ligand · MLX

MLX · N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide

MLX, N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide (C13 H13 Cl F3 N3 O4, 367.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
MLX
Formula
C13 H13 Cl F3 N3 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

MLX in 4 structures; the first of them:

  • 5V3Q · Human GSTO1-1 complexed with ML175 · MLX A801 · binds MET29, CYS32, PRO33, PHE34, LEU56, LYS57, VAL72, VAL127 and 7 more
  • 5YVO · Human Glutathione Transferase Omega1 covalently bound to ML175 inhibitor · MLX A305 · binds MET29, CYS32, PRO33, PHE34, LEU56, LYS57, VAL127, GLY128 and 6 more
  • 5V3Q · Human GSTO1-1 complexed with ML175 · MLX A801 · binds MET29, CYS32, PRO33, PHE34, LEU56, LYS57, VAL127, ILE131 and 3 more
  • 5YVO · Human glutathione transferase OMEGA1 covalently bound to ML175 inhibitor · MLX A305 · binds MET29, CYS32, PRO33, PHE34, LEU56, LYS57, VAL127, GLY128 and 6 more

Residues it binds most

CYS 6, VAL 6, LYS 6, MET 6, PHE 4, TRP 4, TYR 6, LEU 4, ILE 4, PRO 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion

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