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Ligand · G84

G84 · O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide

G84, O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide (C43 H54 N4 O8, 754.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records…

Component
G84
Formula
C43 H54 N4 O8
Class
ligand
Structures
4
PDB entries
2

Binding sites

G84 in 4 structures; the first of them:

  • 3ZVE · 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 84 · G84 A1190 · binds LYS22, PHE25, PRO38, HIS40, ALA41, GLU71, LEU125, ASN126 and 13 more
  • 3ZZA · Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha… · G84 A1181 · binds TYR22, GLY23, GLU24, PHE25, ARG39, HIS40, GLU71, LEU125 and 14 more
  • 3ZVE · 3C protease of enterovirus 68 complexed with michael receptor inhibitor 84 · G84 A1190 · binds LYS22, PHE25, PRO38, HIS40, ALA41, GLU71, LEU125, ASN126 and 13 more
  • 3ZZA · Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha… · G84 A1181 · binds TYR22, GLY23, GLU24, PHE25, ARG39, HIS40, GLU71, LEU125 and 14 more

Residues it binds most

GLY 4, ASN 4, HIS 4, LEU 4, ALA 4, ARG 4, GLU 4, PHE 4, CYS 4, THR 4 (residue and the binding sites it lines).

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