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Ligand · G83

G83 · Ethyl (5S,8S,11R)-8-benzyl-5-(2-tert-butoxy-2-oxoethyl)-3,6,9-trioxo-11-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate

G83, Ethyl (5S,8S,11R)-8-benzyl-5-(2-tert-butoxy-2-oxoethyl)-3,6,9-trioxo-11-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate (C36 H48 N4 O9, 680.8 g/mol), in the MolNFT structures on GenesisL1: bound in 8…

Component
G83
Formula
C36 H48 N4 O9
Class
ligand
Structures
8
PDB entries
4

Binding sites

G83 in 8 structures; the first of them:

  • 3TNS · Crystal structure of SARS coronavirus main protease complexed with an alpha… · G83 A501 · binds THR26, LEU27, HIS41, CYS44, MET49, TYR54, PHE140, LEU141 and 17 more
  • 3ZVD · 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 83 · G83 A1190 · binds LYS22, PHE25, PRO38, HIS40, ALA41, GLU71, LEU125, ASN126 and 13 more
  • 3ZZ9 · Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha… · G83 A1181 · binds TYR22, GLY23, GLU24, PHE25, ARG39, HIS40, LYS42, GLU71 and 18 more
  • 3ZZC · Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed… · G83 A1181 · binds TYR22, PHE25, ARG39, HIS40, GLU71, TYR122, LEU125, TYR126 and 15 more
  • 3TNS · Crystal structure of SARS coronavirus main protease complexed with an alpha… · G83 A501 · binds THR26, LEU27, HIS41, CYS44, MET49, TYR54, PHE140, LEU141 and 17 more
  • 3ZVD · 3C protease of enterovirus 68 complexed with michael receptor inhibitor 83 · G83 A1190 · binds LYS22, PHE25, PRO38, HIS40, ALA41, GLU71, LEU125, ASN126 and 13 more
  • 3ZZ9 · Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha… · G83 A1181 · binds TYR22, GLY23, GLU24, PHE25, ARG39, HIS40, LYS42, GLU71 and 18 more
  • 3ZZC · Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed… · G83 A1181 · binds TYR22, PHE25, ARG39, HIS40, GLU71, TYR122, LEU125, TYR126 and 15 more

Residues it binds most

GLY 8, HIS 8, LEU 8, THR 8, ARG 8, ASN 8, PHE 8, ALA 8, CYS 8, GLU 8 (residue and the binding sites it lines).

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