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Ligand · CIJ

CIJ · 2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione

CIJ, 2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione (C15 H9 Cl F N O4, 321.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
CIJ
Formula
C15 H9 Cl F N O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

CIJ in 2 structures; the first of them:

  • 4BDY · PFV intasome with inhibitor XZ-89 · CIJ A1382 · binds ASP128, TYR129, ASP185, PRO214, GLN215, GLU221, DG4, DC16 and 1 more
  • 4BDY · Pfv intasome with inhibitor xz-89 · CIJ A1382 · binds ASP128, TYR129, ASP185, PRO214, GLN215, GLU221, DG4, DC16 and 1 more

Residues it binds most

ASP 2, DA 2, DC 2, DG 2, GLN 2, GLU 2, PRO 2, TYR 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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