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Ligand · W2P

W2P · N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide

W2P, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide (C27 H28 Cl F3 N6 O2, 561.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
W2P
Formula
C27 H28 Cl F3 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

W2P in 2 structures; the first of them:

  • 3W2P · EGFR Kinase domain T790M/L858R mutant with compound 2 · W2P A1101 · binds LEU718, PHE723, VAL726, ALA743, ILE744, LYS745, LEU747, ILE759 and 13 more
  • 3W2P · EGFR kinase domain T790M/L858R mutant with compound 2 · W2P A1101 · binds LEU718, PHE723, VAL726, ALA743, ILE744, LYS745, LEU747, ILE759 and 13 more

Residues it binds most

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

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