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Ligand · 1TZ

1TZ · (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide

1TZ, (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide (C21 H24 N4 O, 348.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues…

Component
1TZ
Formula
C21 H24 N4 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

1TZ in 6 structures; the first of them:

  • 4KUP · Endothiapepsin in complex with 20mM acylhydrazone inhibitor · 1TZ A401 · binds ASP33, ASP35, GLY37, TYR79, GLY80, ASP81, SER83, PHE116 and 9 more
  • 4LBT · Endothiapepsin in complex with 100mM acylhydrazone inhibitor · 1TZ A402 · binds ILE10, ASP11, ASP15, ALA16, ASP119, ILE122, THR223
  • 4LHH · Endothiapepsin in complex with 2mM acylhydrazone inhibitor · 1TZ A401 · binds ASP33, ASP35, GLY37, TYR79, GLY80, ASP81, SER83, PHE116 and 9 more
  • 4KUP · Endothiapepsin in complex with 20MM acylhydrazone inhibitor · 1TZ A401 · binds ASP33, ASP35, GLY37, TYR79, GLY80, ASP81, SER83, PHE116 and 9 more
  • 4LBT · Endothiapepsin in complex with 100MM acylhydrazone inhibitor · 1TZ A402 · binds ILE10, ASP11, ASP15, ALA16, ASP119, ILE122, THR223
  • 4LHH · Endothiapepsin in complex with 2MM acylhydrazone inhibitor · 1TZ A401 · binds ASP33, ASP35, GLY37, TYR79, GLY80, ASP81, SER83, PHE116 and 9 more

Residues it binds most

ASP 12, ILE 12, GLY 8, TYR 8, PHE 8, THR 10, LEU 8, SER 6, ALA 4, PRO 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • ACT · Acetate ion

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