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Ligand · Y96

Y96 · 5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide

Y96, 5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide (C21 H20 N2 O2, 332.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5…

Component
Y96
Formula
C21 H20 N2 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

Y96 in 4 structures; the first of them:

  • 7KOK · The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex… · Y96 A501 · binds LEU162, GLY163, ASP164, PRO247, PRO248, TYR264, TYR268, GLN269 and 2 more
  • 7KOL · The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder496… · Y96 A501 · binds LEU162, GLY163, ASP164, GLU167, MET208, PRO247, PRO248, TYR264 and 4 more
  • 7KOK · The crystal structure of papain-like protease of SARS cov-2, C111S mutant, in complex… · Y96 A501 · binds LEU162, GLY163, ASP164, PRO247, PRO248, TYR264, TYR268, GLN269 and 2 more
  • 7KOL · The crystal structure of papain-like protease of SARS cov-2 in complex with PLP_SNYDER496… · Y96 A501 · binds LEU162, GLY163, ASP164, GLU167, PRO247, PRO248, TYR264, TYR268 and 3 more

Residues it binds most

TYR 4, PRO 4, ASP 4, GLN 4, GLY 4, LEU 4, THR 4, GLU 2, MET 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CL · Chloride ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • UNX · Unknown atom or ion
  • ACT · Acetate ion

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