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Ligand · 3QS

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

3QS, 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine (C22 H28 N6 O, 392.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
3QS
Formula
C22 H28 N6 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

3QS in 4 structures; the first of them:

  • 4RJ3 · CDK2 with EGFR inhibitor compound 8 · 3QS A302 · binds ILE10, GLY11, GLU12, GLY13, VAL18, ALA31, ALY33, VAL64 and 12 more
  • 4RJ8 · EGFR kinase (T790M/L858R) with inhibitor compound 8 · 3QS A1102 · binds LEU718, GLY719, PHE723, VAL726, ALA743, LYS745, GLU762, MET766 and 9 more
  • 4RJ3 · CDK2 with EGFR inhibitor compound 8 · 3QS A302 · binds ILE10, GLY11, GLU12, GLY13, VAL18, ALA31, ALY33, VAL64 and 12 more
  • 4RJ8 · EGFR kinase (T790M/L858R) with inhibitor compound 8 · 3QS A1102 · binds LEU718, GLY719, PHE723, VAL726, ALA743, LYS745, GLU762, MET766 and 9 more

Residues it binds most

LEU 4, GLY 4, ALA 4, ASP 4, GLN 4, GLU 4, MET 2, PHE 4, VAL 4, ALY 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion

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