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Ligand · 5X4

5X4 · ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

5X4, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (C25 H27 F3 N4 O2, 472.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
5X4
Formula
C25 H27 F3 N4 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

5X4 in 4 structures; the first of them:

  • 5FED · EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor. · 5X4 A1101 · binds LEU718, GLY719, VAL726, ALA743, LYS745, CYS775, THR790, GLN791 and 10 more
  • 5FEE · EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor. · 5X4 A1101 · binds LEU718, GLY719, VAL726, ALA743, LYS745, CYS775, MET790, GLN791 and 11 more
  • 5FED · EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor. · 5X4 A1101 · binds LEU718, GLY719, VAL726, ALA743, LYS745, CYS775, THR790, GLN791 and 10 more
  • 5FEE · EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor. · 5X4 A1101 · binds LEU718, GLY719, VAL726, ALA743, LYS745, CYS775, MET790, GLN791 and 11 more

Residues it binds most

LEU 4, CYS 4, GLY 4, ASP 4, MET 4, THR 4, ALA 4, ARG 4, GLN 4, LYS 4 (residue and the binding sites it lines).

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