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Ligand · 552

552 · (6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one

552, (6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one (C19 H17 Cl F N3 O3, 389.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
552
Formula
C19 H17 Cl F N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

552 in 2 structures; the first of them:

  • 3DDU · Prolyl Oligopeptidase with GSK552 · 552 A901 · binds PHE173, MET235, ARG252, GLY254, CYS255, TYR473, PHE476, ILE478 and 10 more
  • 3DDU · Prolyl oligopeptidase with GSK552 · 552 A901 · binds PHE173, MET235, ARG252, GLY254, CYS255, TYR473, PHE476, ILE478 and 10 more

Residues it binds most

ARG 2, ILE 2, PHE 2, TYR 2, VAL 2, ALA 2, ASN 2, CYS 2, GLY 2, HIS 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • GOL · Glycerol

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