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Ligand · VJA

VJA · N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

VJA, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide (C26 H40 N4 O6, 504.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
VJA
Formula
C26 H40 N4 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

VJA in 2 structures; the first of them:

  • 7JP0 · Crystal structure of Mpro with inhibitor r1 · VJA A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more
  • 7JP0 · Crystal structure of mpro with inhibitor R1 · VJA 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).

Found with

  • DMS · Dimethyl sulfoxide

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