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Ligand · N63

N63 · (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid

N63, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid (C22 H30 F3 N3 O8 S, 553.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
N63
Formula
C22 H30 F3 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

N63 in 2 structures; the first of them:

  • 7TIZ · Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-63 · N63 A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 8 more
  • 7TIZ · Crystal structure of SARS-cov-2 3CL in complex with inhibitor NK01-63 · N63 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

  • NA · Sodium ion
  • SCN · Thiocyanate ion
  • EDO · 1,2-ethanediol

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