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Ligand · CBJ

CBJ · 6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

CBJ, 6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (C18 H12 Br N O6, 418.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with…

Component
CBJ
Formula
C18 H12 Br N O6
Class
ligand
Structures
4
PDB entries
2

Binding sites

CBJ in 4 structures; the first of them:

  • 3NFA · Structural basis for a new mechanism of inhibition of HIV integrase identified by… · CBJ A213 · binds VAL77, VAL79, ALA80, SER81, GLY82, ILE84, VAL150, SER153 and 7 more
  • 4CJW · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · CBJ A1215 · binds GLN168, ALA169, GLU170, HIS171, THR174, MET178, GLN95, ALA98 and 4 more
  • 3NFA · Structural basis for a new mechanism of inhibition of HIV integrase identified by… · CBJ A213 · binds VAL77, VAL79, ALA80, SER81, GLY82, ILE84, VAL150, SER153 and 7 more
  • 4CJW · Interrogating HIV integrase for compounds that bind- a sampl challenge · CBJ A1215 · binds GLN168, ALA169, GLU170, HIS171, THR174, MET178, GLN95, ALA98 and 4 more

Residues it binds most

ALA 16, VAL 8, GLN 8, GLU 16, HIS 16, ILE 8, LEU 16, MET 16, SER 8, THR 8 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • ACY · Acetic acid

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