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Ligand · XU3

XU3 · (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide

XU3, (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide (C23 H23 Cl2 N3 O4 S2, 540.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
XU3
Formula
C23 H23 Cl2 N3 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XU3 in 2 structures; the first of them:

  • 2XU3 · Cathepsin L with a nitrile inhibitor · XU3 A1221 · binds GLN19, GLY23, SER24, CYS25, TRP26, GLY61, ASN62, GLY67 and 10 more
  • 2XU3 · Cathepsin L with a nitrile inhibitor · XU3 A1221 · binds GLN19, GLY23, SER24, CYS25, TRP26, GLY61, ASN62, GLY67 and 10 more

Residues it binds most

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

Found with

  • CL · Chloride ion
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol

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