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Ligand · VHM

VHM · N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide

VHM, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide (C29 H44 N4 O6, 544.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
VHM
Formula
C29 H44 N4 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

VHM in 2 structures; the first of them:

  • 7JQ2 · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5 · VHM A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more
  • 7JQ2 · Structure of the SARS-cov-2 main protease in complex with inhibitor MPI5 · VHM A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more

Residues it binds most

HIS 2, GLN 2, LEU 2, MET 2, ALA 2, ARG 2, ASN 2, ASP 2, CYS 2, GLU 2 (residue and the binding sites it lines).

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