GL1X · GenesisL1 explorer

Ligand · 8LU

8LU · (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide

8LU, (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide (C28 H31 Cl F2 N6 O4, 589.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
8LU
Formula
C28 H31 Cl F2 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

8LU in 2 structures; the first of them:

  • 5Y25 · EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062 · 8LU A1100 · binds LEU718, VAL726, ALA743, ILE744, LYS745, GLU762, LEU788, ILE789 and 13 more
  • 5Y25 · EGFR kinase domain mutant (T790M/L858R) with covalent ligand ns-062 · 8LU A1100 · binds LEU718, VAL726, ALA743, LYS745, GLU762, LEU788, MET790, GLN791 and 9 more

Residues it binds most

LEU 2, MET 2, GLU 2, ALA 2, ARG 2, ASP 2, CYS 2, GLN 2, GLY 2, ILE 1 (residue and the binding sites it lines).

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