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Ligand · TKV

TKV · N~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide

TKV, N~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide (C24 H36 Cl N3 O5 S, 514.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
TKV
Formula
C24 H36 Cl N3 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

TKV in 2 structures; the first of them:

  • 6W5K · 1.95 A resolution structure of Norovirus 3CL protease in complex with inhibitor 5g · TKV A201 · binds HIS30, ILE109, GLN110, ARG112, THR134, ILE135, PRO136, CYS139 and 4 more
  • 6W5K · 1.95 a resolution structure of norovirus 3CL protease in complex with inhibitor 5G · TKV A201 · binds HIS30, ILE109, GLN110, ARG112, THR134, ILE135, PRO136, CYS139 and 4 more

Residues it binds most

ALA 8, HIS 8, ILE 8, THR 8, ARG 8, CYS 8, GLN 8, PRO 8, VAL 4, LYS 2 (residue and the binding sites it lines).

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