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Ligand · LXV

LXV · 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide

LXV, 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide (C12 H15 Br2 N3 O2 S, 425.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
LXV
Formula
C12 H15 Br2 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

LXV in 2 structures; the first of them:

  • 3PDF · Discovery of Novel Cyanamide-Based Inhibitors of Cathepsin C · LXV A442 · binds ASP1, TYR64, GLN228, GLY232, SER233, CYS234, TYR235, GLU275 and 9 more
  • 3PDF · Discovery of novel cyanamide-based inhibitors of cathepsin C · LXV A442 · binds ASP1, TYR64, GLN228, GLY232, SER233, CYS234, TYR235, GLU275 and 9 more

Residues it binds most

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

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion

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