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Ligand · USH

USH · 2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide

USH, 2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide (C14 H19 Cl N2 O3, 298.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
USH
Formula
C14 H19 Cl N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

USH in 2 structures; the first of them:

  • 7NUK · Crystal structure of SARS CoV2 main protease in complex with EG009 (modelled using PanDDA… · USH B704 · binds THR25, THR26, LEU27, HIS41, MET49, LEU141, ASN142, GLY143 and 7 more
  • 7NUK · Crystal structure of SARS COV2 main protease in complex with EG009 (modelled using pandda… · USH B704 · binds THR26, HIS41, MET49, GLY143, SER144, CYS145, HIS164, MET165 and 2 more

Residues it binds most

HIS 2, MET 2, THR 2, ARG 2, CYS 2, GLN 2, GLY 2, LEU 1, SER 2, ASN 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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