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Ligand · V46

V46 · (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

V46, (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (C21 H30 Cl N3 O8 S, 520.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
V46
Formula
C21 H30 Cl N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

V46 in 2 structures; the first of them:

  • 7TIU · Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB46 · V46 A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 8 more
  • 7TIU · Crystal structure of SARS-cov-2 3CL in complex with inhibitor EB46 · V46 A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 8 more

Residues it binds most

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

Found with

  • MG · Magnesium ion
  • PO4 · Phosphate ion

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