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Ligand · KH0

KH0 · ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate

KH0, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carb…

Component
KH0
Formula
C31 H41 N5 O7
Class
ligand
Structures
2
PDB entries
2

Binding sites

KH0 in 2 structures; the first of them:

  • 8PRX · Crystal structure of human cathepsin L after reaction with the bound ketoamide inhibitor… · KH0 A301 · binds GLN19, GLY20, GLN21, CYS22, GLY23, SER24, CYS25, TRP26 and 12 more
  • 9GJ2 · Crystal structure of human cathepsin S produced in insect cells in complex with ketoamide… · KH0 A301 · binds GLN19, GLY20, SER21, CYS22, GLY23, ALA24, CYS25, TRP26 and 13 more

Residues it binds most

GLY 6, CYS 6, TRP 6, GLN 6, MET 6, ASN 6, ALA 6, HIS 6, SER 6, ASP 4 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • CIT · Citric acid
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol

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