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Ligand · USZ

USZ · ~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide

USZ, ~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide (C28 H32 F N3 O2, 461.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
USZ
Formula
C28 H32 F N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

USZ in 2 structures; the first of them:

  • 7NW2 · Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47 · USZ A401 · binds LEU27, HIS41, CYS44, MET49, TYR54, PHE140, LEU141, ASN142 and 15 more
  • 7NW2 · Crystal structure of SARS-cov-2 main protease in complex with lon-wei- ADC59DF6-47 · USZ A401 · binds LEU27, HIS41, CYS44, MET49, TYR54, PHE140, LEU141, ASN142 and 15 more

Residues it binds most

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

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide

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