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Ligand · VBY

VBY · 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl) ethyl]benzamide

VBY, 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl) ethyl]benzamide (C23 H22 N2 O2, 358.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
VBY
Formula
C23 H22 N2 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

VBY in 4 structures; the first of them:

  • 7JIV · The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex… · VBY A501 · binds LEU162, GLY163, ASP164, GLU167, MET208, PRO247, PRO248, TYR264 and 4 more
  • 7JIW · The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530… · VBY A501 · binds LEU162, GLY163, ASP164, GLU167, MET208, PRO247, PRO248, TYR264 and 4 more
  • 7JIV · The crystal structure of papain-like protease of SARS cov-2 , C111S mutant, in complex… · VBY A501 · binds LEU162, GLY163, ASP164, GLU167, PRO247, PRO248, TYR264, TYR268 and 3 more
  • 7JIW · The crystal structure of papain-like protease of SARS cov-2 in complex with PLP_SNYDER530… · VBY 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, GLU 4, GLY 4, LEU 4, THR 4, MET 2 (residue and the binding sites it lines).

Found with

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

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