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Ligand · HU4

HU4 · Tert-butyl {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino}carbonyl)-7,7-dimethyl-6-oxa-3-azabicyclo[3.2.0]hept-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate

HU4, Tert-butyl {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino}carbonyl)-7,7-dimethyl-6-oxa-3-azabicyclo[3.2.0]hept-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate (C29 H46 N4 O7, 562.7 g/mol), in the MolNFT…

Component
HU4
Formula
C29 H46 N4 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

HU4 in 2 structures; the first of them:

  • 2OC7 · Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and… · HU4 A999 · binds GLN41, THR42, PHE43, VAL55, HIS57, ASP81, ARG123, ILE132 and 12 more
  • 2OC7 · Structure of hepatitis C viral NS3 protease domain complexed with NS4A peptide and… · HU4 A999 · binds GLN41, THR42, PHE43, VAL55, HIS57, ASP81, ARG123, ILE132 and 12 more

Residues it binds most

ALA 2, ARG 2, ASP 2, PHE 2, SER 2, VAL 2, CYS 2, GLN 2, GLY 2, HIS 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • BME · Beta-mercaptoethanol

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