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Ligand · GEI

GEI · (2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid

GEI, (2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid (C34 H43 F N2 O4, 562.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
GEI
Formula
C34 H43 F N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

GEI in 2 structures; the first of them:

  • 7T9O · HIV Integrase in complex with Compound-25 · GEI A304 · binds GLN95, ALA98, TYR99, LEU102, THR124, THR125, LYS127, ALA128 and 3 more
  • 7T9O · HIV integrase in complex with compound-25 · GEI A304 · binds GLN95, TYR99, THR124, THR125, LYS127, ALA128, ALA129, TRP131

Residues it binds most

ALA 2, THR 2, TRP 2, GLN 2, LYS 2, TYR 2, LEU 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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