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Ligand · 3R1

3R1 · 2,6-dichloro-N-{2-[(2-{[(2S)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide

3R1, 2,6-dichloro-N-{2-[(2-{[(2S)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide (C20 H20 Cl2 N6 O2, 447.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
3R1
Formula
C20 H20 Cl2 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3R1 in 2 structures; the first of them:

  • 4RJ7 · EGFR kinase (T790M/L858R) with inhibitor compound 1 · 3R1 A1102 · binds LEU718, GLY719, PHE723, VAL726, ALA743, LYS745, MET790, GLN791 and 10 more
  • 4RJ7 · EGFR kinase (T790M/L858R) with inhibitor compound 1 · 3R1 A1102 · binds LEU718, GLY719, PHE723, VAL726, ALA743, LYS745, MET790, GLN791 and 10 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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