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Ligand · DJK

DJK · N-[4-(3-bromo-phenylamino)-quinazolin-6-yl]-acrylamide

DJK, N-[4-(3-bromo-phenylamino)-quinazolin-6-yl]-acrylamide (C17 H13 Br N4 O, 369.2 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
DJK
Formula
C17 H13 Br N4 O
Class
ligand
Structures
8
PDB entries
4

Binding sites

DJK in 8 structures; the first of them:

  • 2HWP · Crystal structure of Src kinase domain in complex with covalent inhibitor PD168393 · DJK A1345 · binds VAL281, ALA293, LYS295, MET314, ILE336, THR338, GLY344, CYS345 and 4 more
  • 2J5F · Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 34-jab · DJK A3021 · binds LEU718, VAL726, ALA743, LYS745, GLU762, MET766, LEU788, ILE789 and 10 more
  • 3LOK · Drug resistant cSrc kinase domain in complex with covalent inhibitor PD168393 · DJK A1345 · binds VAL281, ALA293, ILE294, LYS295, ILE336, MET338, MET341, GLY344 and 7 more
  • 4LQM · EGFR L858R in complex with PD168393 · DJK A1101 · binds LEU718, ALA743, LYS745, GLU762, MET766, LEU788, ILE789, THR790 and 10 more
  • 2HWP · Crystal structure of src kinase domain in complex with covalent inhibitor PD168393 · DJK A1345 · binds VAL281, ALA293, LYS295, MET314, ILE336, THR338, GLY344, CYS345 and 4 more
  • 2J5F · Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 34-jab · DJK A3021 · binds LEU718, VAL726, ALA743, LYS745, GLU762, MET766, LEU788, ILE789 and 10 more
  • 3LOK · Drug resistant csrc kinase domain in complex with covalent inhibitor PD168393 · DJK A1345 · binds VAL281, ALA293, ILE294, LYS295, ILE336, MET338, MET341, GLY344 and 7 more
  • 4LQM · EGFR L858R in complex with PD168393 · DJK A1101 · binds LEU718, ALA743, LYS745, GLU762, MET766, LEU788, ILE789, THR790 and 10 more

Residues it binds most

LEU 12, ALA 12, ASP 12, MET 10, ILE 12, CYS 12, GLY 12, LYS 12, THR 8, VAL 10 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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