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Ligand · R2E

R2E · 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one

R2E, 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one (C23 H23 Cl2 F N4 O3, 493.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every…

Component
R2E
Formula
C23 H23 Cl2 F N4 O3
Class
ligand
Structures
4
PDB entries
3

Binding sites

R2E in 4 structures; the first of them:

  • 7A6J · Crystal Structure of EGFR-T790M/V948R in Complex with Poziotinib · R2E A1101 · binds LEU718, GLY719, VAL726, ALA743, ILE744, LYS745, LEU788, ILE789 and 12 more
  • 8F1W · EGFR(T790M/V948R) kinase in complex with poziotinib · R2E A1101 · binds LEU718, GLY719, SER720, VAL726, ALA743, ILE744, LYS745, LEU777 and 17 more
  • 8F1Y · EGFR kinase in complex with poziotinib · R2E A1101 · binds LEU718, GLY719, VAL726, ALA743, ILE744, LYS745, GLU762, MET766 and 14 more
  • 7A6J · Crystal structure of EGFR-T790M/V948R in complex with poziotinib · R2E A1101 · binds LEU718, GLY719, VAL726, ALA743, ILE744, LYS745, LEU788, ILE789 and 12 more

Residues it binds most

LEU 9, ASP 9, GLY 9, ILE 9, MET 9, ALA 9, ARG 9, THR 9, CYS 9, GLN 9 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • CIT · Citric acid

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