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Ligand · CWU

CWU · 5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid

CWU, 5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid (C18 H16 O5, 312.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
CWU
Formula
C18 H16 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

CWU in 2 structures; the first of them:

  • 4CHQ · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · CWU A1217 · binds GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178, GLN95 and 6 more
  • 4CHQ · Interrogating HIV integrase for compounds that bind- a sampl challenge · CWU A1217 · binds GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178, GLN95 and 6 more

Residues it binds most

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

Found with

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

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