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Ligand · ZSW

ZSW · (R)-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium

ZSW, (R)-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium (C28 H35 N2 O7 +1, 511.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4…

Component
ZSW
Formula
C28 H35 N2 O7 +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

ZSW in 4 structures; the first of them:

  • 3ZSW · Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by… · ZSW A308 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 10 more
  • 4CEA · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · ZSW A1217 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 10 more
  • 3ZSW · Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by… · ZSW A308 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 10 more
  • 4CEA · Interrogating HIV integrase for compounds that bind- a sampl challenge · ZSW A1217 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 10 more

Residues it binds most

ALA 8, THR 8, GLN 8, GLU 8, TRP 8, ASP 8, HIS 8, LYS 8, MET 8, TYR 8 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • ACY · Acetic acid
  • GOL · Glycerol
  • THR · Threonine

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