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Ligand · R85

R85 · 5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine

R85, 5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine (C30 H38 Cl N8 O2 P, 609.1 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
R85
Formula
C30 H38 Cl N8 O2 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

R85 in 2 structures; the first of them:

  • 7AEI · Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series · R85 A1101 · binds LEU718, GLY719, PHE723, VAL726, ALA743, LYS745, THR790, GLN791 and 12 more
  • 7AEI · Studies towards a reversible EGFR C797S triple mutant inhibitor series · R85 A1101 · binds LEU718, GLY719, PHE723, VAL726, ALA743, LYS745, THR790, GLN791 and 12 more

Residues it binds most

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

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