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Ligand · C5Q

C5Q · 5-(1H-indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid

C5Q, 5-(1H-indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid (C17 H13 N O4, 295.3 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 binds…

Component
C5Q
Formula
C17 H13 N O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

C5Q in 2 structures; the first of them:

  • 4CHY · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · C5Q A1217 · binds TYR83, ASN184, HIS185, ARG187, SER195, GLY197, GLU198, VAL201 and 7 more
  • 4CHY · Interrogating HIV integrase for compounds that bind- a sampl challenge · C5Q A1217 · binds TYR83, ASN184, HIS185, ARG187, SER195, GLY197, GLU198, VAL201 and 7 more

Residues it binds most

ALA 8, TRP 8, ARG 4, GLN 4, GLY 4, THR 4, TYR 8, ILE 4, ASN 4, ASP 4 (residue and the binding sites it lines).

Found with

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

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