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Ligand · 800

800 · N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

800, N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide (C27 H39 N5 O5, 513.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
800
Formula
C27 H39 N5 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

800 in 2 structures; the first of them:

  • 7RW1 · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI28 · 800 A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 14 more
  • 7RW1 · Structure of the SARS-cov-2 main protease in complex with inhibitor MPI28 · 800 A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 14 more

Residues it binds most

HIS 4, ALA 4, GLN 4, SER 4, LEU 4, ARG 4, ASN 4, ASP 4, CYS 4, GLU 4 (residue and the binding sites it lines).

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