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Ligand · HKI

HKI · N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide

HKI, N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide (C30 H31 Cl N6 O3, 559.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
HKI
Formula
C30 H31 Cl N6 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

HKI in 4 structures; the first of them:

  • 2JIV · Crystal structure of EGFR kinase domain T790M mutation in compex with HKI-272 · HKI A1797 · binds LEU718, GLY719, SER720, VAL726, ALA743, ILE744, LYS745, MET766 and 18 more
  • 3W2Q · EGFR kinase domain T790M/L858R mutant with HKI-272 · HKI A1101 · binds LEU718, VAL726, ALA743, ILE744, LYS745, ILE759, GLU762, ALA763 and 15 more
  • 2JIV · Crystal structure of EGFR kinase domain T790M mutation in compex with hki-272 · HKI A1797 · binds LEU718, GLY719, SER720, VAL726, ALA743, ILE744, LYS745, MET766 and 18 more
  • 3W2Q · EGFR kinase domain T790M/L858R mutant with hki-272 · HKI A1101 · binds LEU718, VAL726, ALA743, ILE744, LYS745, ILE759, GLU762, ALA763 and 15 more

Residues it binds most

LEU 6, MET 6, ILE 6, CYS 6, GLY 6, PHE 6, ALA 6, ARG 6, ASP 6, GLN 6 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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