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Ligand · WPI

WPI · 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane

WPI, 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane (C33 H48 N2 O6, 568.7 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…

Component
WPI
Formula
C33 H48 N2 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

WPI in 2 structures; the first of them:

  • 4EU2 · Crystal structure of 20s proteasome with novel inhibitor K-7174 · WPI H300 · binds THR1, THR21, SER46, GLY47, THR94, LEU115, GLY128, SER129 and 7 more
  • 4EU2 · Crystal structure of 20S proteasome with novel inhibitor K-7174 · WPI H300 · binds THR1, THR21, SER46, GLY47, THR94, LEU115, GLY128, SER129 and 7 more

Residues it binds most

GLY 12, THR 12, SER 12, TYR 12, ALA 8, ASP 4, ARG 6, MET 4, GLN 6, GLU 4 (residue and the binding sites it lines).

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