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Ligand · ZSV

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

ZSV, (R)-[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium (C32 H35 N2 O8 +1, 575.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4…

Component
ZSV
Formula
C32 H35 N2 O8 +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

ZSV in 4 structures; the first of them:

  • 3ZSV · Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by… · ZSV A1215 · binds THR93, GLN95, GLU96, ALA98, TYR99, LEU102, THR125, ALA128 and 9 more
  • 4CEB · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · ZSV B1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 9 more
  • 3ZSV · Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by… · ZSV A1215 · binds THR93, GLN95, GLU96, ALA98, TYR99, LEU102, THR125, ALA128 and 9 more
  • 4CEB · Interrogating HIV integrase for compounds that bind- a sampl challenge · ZSV B1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 9 more

Residues it binds most

ALA 8, THR 8, GLN 8, GLU 8, ASP 8, HIS 8, LEU 8, LYS 8, MET 8, TYR 8 (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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