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Ligand · H7J

H7J · N-[(1S)-1-{1-[(1R,3E)-1-acetylpent-3-en-1-yl]-1H-1,2,3-triazol-4-yl}-1,2-dimethylpropyl]benzamide

H7J, N-[(1S)-1-{1-[(1R,3E)-1-acetylpent-3-en-1-yl]-1H-1,2,3-triazol-4-yl}-1,2-dimethylpropyl]benzamide (C21 H28 N4 O2, 368.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
H7J
Formula
C21 H28 N4 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

H7J in 4 structures; the first of them:

  • 2H7J · Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor. · H7J A300 · binds GLN19, GLY23, ALA24, CYS25, TRP26, GLY62, ASN63, LYS64 and 9 more
  • 2HXZ · Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor (Hexagonal… · H7J A811 · binds GLN19, CYS22, GLY23, ALA24, CYS25, TRP26, GLY62, LYS64 and 12 more
  • 2H7J · Crystal structure of cathepsin S in complex with a nonpeptidic inhibitor. · H7J A300 · binds GLN19, GLY23, ALA24, CYS25, TRP26, GLY62, ASN63, LYS64 and 9 more
  • 2HXZ · Crystal structure of cathepsin S in complex with a nonpeptidic inhibitor (hexagonal… · H7J A811 · binds GLN19, CYS22, GLY23, ALA24, CYS25, TRP26, GLY62, LYS64 and 12 more

Residues it binds most

GLY 10, ASN 10, CYS 10, PHE 10, LYS 10, ALA 10, GLN 10, HIS 10, MET 10, TRP 10 (residue and the binding sites it lines).

Found with

  • P15 · 2,5,8,11,14,17-hexaoxanonadecan-19-ol
  • SO4 · Sulfate ion

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