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Ligand · 1C9

1C9 · (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide

1C9, (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide (C24 H25 Cl F N5 O2, 469.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with…

Component
1C9
Formula
C24 H25 Cl F N5 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

1C9 in 4 structures; the first of them:

  • 4I23 · Crystal structure of the wild-type EGFR kinase domain in complex with dacomitinib (soaked) · 1C9 A9001 · binds LEU718, VAL726, ALA743, LYS745, GLU762, MET766, LEU788, ILE789 and 8 more
  • 4I24 · Structure of T790M EGFR kinase domain co-crystallized with dacomitinib · 1C9 A9001 · binds LEU718, VAL726, ALA743, ILE744, LYS745, LEU788, ILE789, MET790 and 13 more
  • 4I23 · Crystal structure of the wild-type EGFR kinase domain in complex with dacomitinib (soaked) · 1C9 A9001 · binds LEU718, VAL726, ALA743, LYS745, GLU762, MET766, LEU788, ILE789 and 8 more
  • 4I24 · Structure of T790M EGFR kinase domain co-crystallized with dacomitinib · 1C9 A9001 · binds LEU718, VAL726, ALA743, ILE744, LYS745, LEU788, ILE789, MET790 and 13 more

Residues it binds most

LEU 6, MET 6, ILE 6, ASP 4, THR 6, ALA 6, GLN 6, GLY 6, LYS 6, PRO 6 (residue and the binding sites it lines).

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