GL1X · GenesisL1 explorer

Ligand · 7VB

7VB · N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide

7VB, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide (C26 H38 N4 O6, 502.6 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every…

Component
7VB
Formula
C26 H38 N4 O6
Class
ligand
Structures
3
PDB entries
2

Binding sites

7VB in 3 structures; the first of them:

  • 7RVN · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12 · 7VB A401 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 13 more
  • 7UUB · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12 · 7VB A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 10 more
  • 7RVN · Structure of the SARS-cov-2 main protease in complex with inhibitor MPI12 · 7VB A401 · binds HIS41, PHE140, ASN142, GLY143, SER144, CYS145, HIS163, HIS164 and 10 more

Residues it binds most

HIS 3, GLN 3, ALA 3, ARG 3, ASN 3, ASP 3, CYS 3, GLU 3, GLY 3, LEU 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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