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Ligand · HJ9

HJ9 · [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2, 3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid

HJ9, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2, 3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid (C23 H21 B N4 O5, 444.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
HJ9
Formula
C23 H21 B N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

HJ9 in 2 structures; the first of them:

  • 7DT2 · Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors · HJ9 A601 · binds LEU248, GLY249, TYR253, VAL256, ALA269, LYS271, GLU286, VAL299 and 12 more
  • 7DT2 · Strategic design of catalytic lysine-targeting reversible covalent BCR-abl inhibitors · HJ9 A601 · binds LEU248, GLY249, TYR253, VAL256, ALA269, LYS271, THR315, GLU316 and 7 more

Residues it binds most

GLY 4, LEU 4, PHE 4, THR 4, VAL 4, ALA 4, TYR 4, ASN 4, GLU 4, LYS 4 (residue and the binding sites it lines).

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