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Ligand · 6HJ

6HJ · (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one

6HJ, (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (C22 H23 N7 O, 401.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
6HJ
Formula
C22 H23 N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

6HJ in 2 structures; the first of them:

  • 5J9Z · EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a · 6HJ A1101 · binds LEU718, GLY719, PHE723, VAL726, ALA743, ILE744, LYS745, GLU762 and 12 more
  • 5J9Z · EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1A · 6HJ A1101 · binds LEU718, GLY719, PHE723, VAL726, ALA743, ILE744, LYS745, GLU762 and 12 more

Residues it binds most

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

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