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Ligand · 3QW

3QW · N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine

3QW, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine (C23 H28 N8 O, 432.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3QW
Formula
C23 H28 N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3QW in 2 structures; the first of them:

  • 4RJ4 · EGFR kinase (T790M/L858R) with inhibitor compound 6 · 3QW A1101 · binds LEU718, PHE723, VAL726, ALA743, LYS745, GLU762, MET766, CYS775 and 8 more
  • 4RJ4 · EGFR kinase (T790M/L858R) with inhibitor compound 6 · 3QW A1101 · binds LEU718, PHE723, VAL726, ALA743, LYS745, GLU762, MET766, CYS775 and 8 more

Residues it binds most

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

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