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Ligand · TFI

TFI · 2-[5-methanesulfonylamino-2-(4-aminophenyl)-6-oxo-1,6-dihydro-1-pyrimidinyl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)acetamide

TFI, 2-[5-methanesulfonylamino-2-(4-aminophenyl)-6-oxo-1,6-dihydro-1-pyrimidinyl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)acetamide (C19 H22 F3 N5 O5 S, 489.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
TFI
Formula
C19 H22 F3 N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

TFI in 2 structures; the first of them:

  • 1EAT · Nonpeptidic inhibitors of human leukocyte elastase. 5. design, synthesis, and X-ray… · TFI A1 · binds THR41, CYS42, HIS57, CYS58, ARG61, ASP97, VAL99, TRP172 and 11 more
  • 1EAT · Nonpeptidic inhibitors of human leukocyte elastase. 5. design, synthesis, and X-ray… · TFI A1 · binds THR41, CYS42, HIS57, CYS58, ARG61, ASP97, VAL99, TRP172 and 11 more

Residues it binds most

CYS 2, SER 2, ARG 2, ASP 2, THR 2, VAL 2, GLN 2, GLY 2, HIS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • SO4 · Sulfate ion

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