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Ligand · IMV

IMV · 5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid

IMV, 5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid (C17 H13 N O5, 311.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
IMV
Formula
C17 H13 N O5
Class
ligand
Structures
4
PDB entries
2

Binding sites

IMV in 4 structures; the first of them:

  • 3NF6 · Structural basis for a new mechanism of inhibition of HIV integrase identified by… · IMV A215 · binds GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178, GLN95 and 7 more
  • 4CHP · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · IMV A1216 · binds GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178, GLN95 and 7 more
  • 3NF6 · Structural basis for a new mechanism of inhibition of HIV integrase identified by… · IMV A215 · binds GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178, GLN95 and 7 more
  • 4CHP · Interrogating HIV integrase for compounds that bind- a sampl challenge · IMV A1216 · binds GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178, GLN95 and 7 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • CL · Chloride ion
  • ACT · Acetate ion
  • ACY · Acetic acid

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