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Ligand · WOP

WOP · 5-[[methyl-[[(1S)-2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]carbamoyl]amino]methyl]-1,3-benzodioxole-4-carboxylic acid

WOP, 5-[[methyl-[[(1S)-2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]carbamoyl]amino]methyl]-1,3-benzodioxole-4-carboxylic acid (C26 H25 N3 O6, 475.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
WOP
Formula
C26 H25 N3 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

WOP in 2 structures; the first of them:

  • 4CFA · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · WOP A1214 · binds ARG166, ASP167, GLN168, ALA169, GLU170, HIS171, THR174, GLN95 and 5 more
  • 4CFA · Interrogating HIV integrase for compounds that bind- a sampl challenge · WOP A1214 · binds ARG166, ASP167, GLN168, ALA169, GLU170, HIS171, THR174, GLN95 and 5 more

Residues it binds most

ALA 4, GLN 4, THR 4, ARG 4, ASP 4, GLU 4, HIS 4, TYR 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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