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Ligand · 9JO

9JO · N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide

9JO, N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide (C33 H41 Cl N8 O2, 617.2 g/mol), in the MolNFT structures on GenesisL1…

Component
9JO
Formula
C33 H41 Cl N8 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

9JO in 2 structures; the first of them:

  • 5ZTO · Crystal structure of EGFR 696-1022 T790M/C797S in complex with D3003 · 9JO A1101 · binds LEU718, GLY719, VAL726, ALA743, LYS745, GLU762, MET766, LEU788 and 7 more
  • 6JRX · EGFR T790M/C797S in complex with compound 6I · 9JO A1101 · binds LEU718, GLY719, SER720, GLY721, PHE723, VAL726, ALA743, LYS745 and 8 more

Residues it binds most

LEU 2, GLY 2, MET 2, ALA 2, GLN 2, GLU 2, LYS 2, PRO 2, VAL 2, PHE 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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