GL1X · GenesisL1 explorer

Ligand · TFG

TFG · 2,2,2-trifluoro-1-{5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophen-2-yl}ethane-1,1-diol

TFG, 2,2,2-trifluoro-1-{5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophen-2-yl}ethane-1,1-diol (C19 H16 F3 N3 O3 S, 423.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every…

Component
TFG
Formula
C19 H16 F3 N3 O3 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

TFG in 6 structures; the first of them:

  • 2VQJ · Structure of HDAC4 catalytic domain bound to a trifluoromethylketone inhbitor · TFG A1414 · binds PRO156, HIS158, HIS159, GLY167, PHE168, CYS169, ASP196, HIS198 and 6 more
  • 2VQO · Structure of HDAC4 catalytic domain with a gain-of-function muation bound to a… · TFG A1410 · binds PRO156, HIS158, HIS159, GLY167, PHE168, CYS169, ASP196, HIS198 and 14 more
  • 2VQQ · Structure of HDAC4 catalytic domain (a double cysteine-to-alanine mutant) bound to a… · TFG A1410 · binds PRO156, HIS158, HIS159, GLY167, PHE168, CYS169, ASP196, HIS198 and 15 more
  • 2VQJ · Structure of HDAC4 catalytic domain bound to a trifluoromethylketone inhbitor · TFG A1414 · binds PRO156, HIS158, HIS159, GLY167, PHE168, CYS169, ASP196, HIS198 and 6 more
  • 2VQO · Structure of HDAC4 catalytic domain with a gain-of-function muation bound to a… · TFG A1410 · binds PRO156, HIS158, HIS159, GLY167, PHE168, CYS169, ASP196, HIS198 and 14 more
  • 2VQQ · Structure of HDAC4 catalytic domain (a double cysteine-to- alanine mutant) bound to a… · TFG A1410 · binds PRO156, HIS158, HIS159, GLY167, PHE168, CYS169, ASP196, HIS198 and 15 more

Residues it binds most

GLY 10, HIS 10, PRO 10, ASP 10, PHE 10, GLU 10, LEU 10, TYR 8, CYS 10, ALA 8 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • DIO · 1,4-diethylene dioxide

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