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Ligand · 0E6

0E6 · amino{[(4S)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2S)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium

0E6, amino{[(4S)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2S)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium (C25 H33 Cl N5 O5 +1, 519.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
0E6
Formula
C25 H33 Cl N5 O5 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

0E6 in 2 structures; the first of them:

  • 1THE · Crystal structures of recombinant rat cathepsin B and a cathepsin B-inhibitor complex… · 0E6 A901 · binds GLN23, CYS26, GLY27, SER28, CYS29, TRP30, ASP69, ASN72 and 17 more
  • 1THE · Crystal structures of recombinant rat cathepsin B and a cathepsin B- inhibitor complex… · 0E6 A901 · binds GLN23, CYS26, GLY27, SER28, CYS29, TRP30, ASP69, ASN72 and 17 more

Residues it binds most

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

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