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Ligand · 4SS

4SS · (S)-2-(2-((2H-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4H)-one

4SS, (S)-2-(2-((2H-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4H)-one (C28 H28 Cl N5 O4, 534.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
4SS
Formula
C28 H28 Cl N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

4SS in 2 structures; the first of them:

  • 4ZYC · Discovery of dihydroisoquinoli derivatives as novel inhibitors of the p53-MDM2… · 4SS A201 · binds LYS51, LEU54, PHE55, LEU57, GLY58, ILE61, TYR67, VAL75 and 9 more
  • 4ZYC · Discovery of dihydroisoquinolinone derivatives as novel inhibitors of the P53-MDM2… · 4SS A201 · binds LYS51, LEU54, PHE55, LEU57, GLY58, ILE61, TYR67, VAL75 and 9 more

Residues it binds most

PHE 6, HIS 6, ILE 6, LEU 6, TYR 6, LYS 6, VAL 6, GLY 6, ARG 2, GLN 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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