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Ligand · 816

816 · 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one

816, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one (C26 H26 Cl N7 O2, 504.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
816
Formula
C26 H26 Cl N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

816 in 2 structures; the first of them:

  • 5GTY · Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26 · 816 A1101 · binds LEU718, GLY719, SER720, VAL726, ALA743, ILE744, LYS745, CYS775 and 17 more
  • 5GTY · Crystal structure of EGFR 696-1022 T790M in complex with lxx-6-26 · 816 A1101 · binds LEU718, GLY719, SER720, VAL726, ALA743, ILE744, LYS745, CYS775 and 17 more

Residues it binds most

LEU 16, MET 16, ARG 16, CYS 16, ASP 16, GLY 16, ILE 16, ALA 16, GLN 16, LYS 16 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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