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Ligand · 1TD

1TD · 3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid

1TD, 3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid (C16 H11 N O3, 265.3 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 residues it…

Component
1TD
Formula
C16 H11 N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1TD in 2 structures; the first of them:

  • 4OVL · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · 1TD A308 · binds ALA169, GLU170, HIS171, THR174, MET178, GLN95, ALA98, TYR99 and 5 more
  • 4OVL · Interrogating HIV integrase for compounds that bind- a sampl challenge · 1TD A308 · binds ALA169, GLU170, HIS171, THR174, MET178, GLN95, ALA98, TYR99 and 5 more

Residues it binds most

ALA 4, THR 4, GLN 4, GLU 4, HIS 4, LEU 4, MET 4, TRP 4, TYR 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACY · Acetic acid
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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