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Ligand · TR4

TR4 · 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile

TR4, 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile (C11 H10 N4 S, 230.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
TR4
Formula
C11 H10 N4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

TR4 in 2 structures; the first of them:

  • 3NBW · X-ray structure of ketohexokinase in complex with a pyrazole compound · TR4 A301 · binds ALA224, ALA226, GLU227, GLY229, ALA230, ALA244, PRO246, PRO247 and 7 more
  • 3NBW · X-ray structure of ketohexokinase in complex with a pyrazole compound · TR4 A301 · binds ALA224, ALA226, GLU227, GLY229, ALA230, ALA244, PRO246, PRO247 and 7 more

Residues it binds most

ALA 4, GLY 4, CYS 4, PRO 4, GLU 4, PHE 4, VAL 4, TRP 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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