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Ligand · 4TH

4TH · (S)-7-((R)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one

4TH, (S)-7-((R)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one (C33 H34 Cl N3 O3, 556.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
4TH
Formula
C33 H34 Cl N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

4TH in 2 structures; the first of them:

  • 4ZYI · Discovery of NVP-CGM097 - a highly potent and selective MDM2 inhibitor undergoing phase 1… · 4TH A201 · binds GLN24, LYS51, LEU54, PHE55, LEU57, GLY58, ILE61, MET62 and 10 more
  • 4ZYI · Discovery of nvp-CGM097 - a highly potent and selective MDM2 inhibitor undergoing phase 1… · 4TH A201 · binds GLN24, LYS51, LEU54, PHE55, LEU57, GLY58, ILE61, MET62 and 10 more

Residues it binds most

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

Found with

  • CL · Chloride ion

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