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Ligand · 3O6

3O6 · 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]urea

3O6, 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]urea (C18 H13 F5 N4 O, 396.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
3O6
Formula
C18 H13 F5 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3O6 in 2 structures; the first of them:

  • 4WI1 · Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium… · 3O6 A801 · binds TYR266, ILE270, LEU275, ILE276, TYR278, TYR285, LEU287, ALA291 and 11 more
  • 4WI1 · Crystal structure of prolyl-tRNA synthetase (prors, proline--tRNA ligase) from plasmodium… · 3O6 A801 · binds TYR266, ILE270, LEU275, ILE276, TYR278, TYR285, LEU287, ALA291 and 11 more

Residues it binds most

ILE 4, TYR 4, ARG 4, LEU 4, ALA 4, GLU 4, GLY 4, MET 4, THR 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • IMD · Imidazole

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