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Ligand · 4T4

4T4 · (S)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one

4T4, (S)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one (C38 H47 Cl N4 O4, 659.3 g/mol), in the MolNFT structures on…

Component
4T4
Formula
C38 H47 Cl N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

4T4 in 2 structures; the first of them:

  • 4ZYF · Discovery of NVP-CGM097 - a highly potent and selective MDM2 inhibitor undergoing phase 1… · 4T4 A201 · binds GLN18, GLN24, LYS51, LEU54, PHE55, LEU57, GLY58, ILE61 and 12 more
  • 4ZYF · Discovery of nvp-CGM097 - a highly potent and selective MDM2 inhibitor undergoing phase 1… · 4T4 A201 · binds GLN18, GLN24, LYS51, LEU54, PHE55, LEU57, GLY58, ILE61 and 12 more

Residues it binds most

GLN 2, ILE 2, PHE 2, HIS 2, LEU 2, TYR 2, VAL 2, GLY 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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