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Ligand · 5FI

5FI · 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole

5FI, 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole (C19 H21 F3 N6, 390.4 g/mol), in the MolNFT structures on GenesisL1: bound in 16 records (8 PDB entries). Every binding site with its residues…

Component
5FI
Formula
C19 H21 F3 N6
Class
ligand
Structures
16
PDB entries
8

Binding sites

5FI in 16 structures; the first of them:

  • 3WE4 · Crystal structure of S6K1 kinase domain in complex with a pyrimidine derivative… · 5FI A402 · binds LEU97, GLY98, LYS99, GLY100, GLY101, TYR102, GLY103, LYS104 and 14 more
  • 4L3J · Crystal structures of human p70S6K1 kinase domain · 5FI A401 · binds LEU74, GLY75, LYS76, GLY77, TYR79, GLY80, LYS81, VAL82 and 13 more
  • 4L3L · Crystal structures of human p70S6K1 kinase domain (Zinc anomalous) · 5FI A401 · binds LEU74, GLY75, LYS76, GLY77, TYR79, GLY80, LYS81, VAL82 and 14 more
  • 4L42 · Crystal structures of human p70S6K1-PIF · 5FI A401 · binds LEU74, GLY75, LYS76, GLY77, TYR79, GLY80, LYS81, VAL82 and 13 more
  • 4L43 · Crystal structures of human p70S6K1-T389A (form I) · 5FI A401 · binds LEU74, GLY75, LYS76, GLY77, GLY78, TYR79, GLY80, LYS81 and 16 more
  • 4L44 · Crystal structures of human p70S6K1-T389A (form II) · 5FI A404 · binds LEU74, GLY75, LYS76, GLY77, GLY78, TYR79, GLY80, LYS81 and 17 more
  • 4L45 · Crystal structures of human p70S6K1-T389E · 5FI A401 · binds LEU74, GLY75, LYS76, GLY77, TYR79, GLY80, LYS81, VAL82 and 15 more
  • 4L46 · Crystal structures of human p70S6K1-WT · 5FI A401 · binds LEU74, GLY75, LYS76, GLY77, GLY78, TYR79, GLY80, LYS81 and 16 more
  • 3WE4 · Crystal structure of S6K1 kinase domain in complex with a pyrimidine derivative… · 5FI A402 · binds LEU97, GLY98, LYS99, GLY100, GLY101, TYR102, GLY103, LYS104 and 14 more
  • 4L3J · Crystal structures of human P70S6K1 kinase domain · 5FI A401 · binds LEU74, GLY75, LYS76, GLY77, TYR79, GLY80, LYS81, VAL82 and 13 more
  • 4L3L · Crystal structures of human P70S6K1 kinase domain (zinc anomalous) · 5FI A401 · binds LEU74, GLY75, LYS76, GLY77, TYR79, GLY80, LYS81, VAL82 and 14 more
  • 4L42 · Crystal structures of human P70S6K1-pif · 5FI A401 · binds LEU74, GLY75, LYS76, GLY77, TYR79, GLY80, LYS81, VAL82 and 13 more
  • 4L43 · Crystal structures of human P70S6K1-T389A (form I) · 5FI A401 · binds LEU74, GLY75, LYS76, GLY77, GLY78, TYR79, GLY80, LYS81 and 16 more
  • 4L44 · Crystal structures of human P70S6K1-T389A (form II) · 5FI A404 · binds LEU74, GLY75, LYS76, GLY77, GLY78, TYR79, GLY80, LYS81 and 17 more
  • 4L45 · Crystal structures of human P70S6K1-T389E · 5FI A401 · binds LEU74, GLY75, LYS76, GLY77, TYR79, GLY80, LYS81, VAL82 and 15 more
  • 4L46 · Crystal structures of human P70S6K1-wt · 5FI A401 · binds LEU74, GLY75, LYS76, GLY77, GLY78, TYR79, GLY80, LYS81 and 16 more

Residues it binds most

LEU 16, LYS 16, GLY 16, VAL 16, TYR 16, ALA 16, CYS 16, GLU 16, MET 16, THR 14 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion

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