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Ligand · XU5

XU5 · (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide

XU5, (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide (C26 H28 Cl N3 O4 S, 514.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
XU5
Formula
C26 H28 Cl N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

XU5 in 2 structures; the first of them:

  • 2XU5 · Cathepsin L with a nitrile inhibitor · XU5 A1221 · binds GLN19, GLY23, SER24, CYS25, TRP26, GLY61, GLU63, ASN66 and 11 more
  • 2XU5 · Cathepsin L with a nitrile inhibitor · XU5 A1221 · binds GLN19, GLY23, SER24, CYS25, TRP26, GLY61, GLU63, ASN66 and 11 more

Residues it binds most

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

Found with

  • FLC · Citrate anion
  • GOL · Glycerol

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