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Ligand · 4DV

4DV · 3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid

4DV, 3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid (C34 H31 Cl F N O2, 540.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
4DV
Formula
C34 H31 Cl F N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4DV in 2 structures; the first of them:

  • 4YK5 · Crystal Structures of mPGES-1 Inhibitor Complexes · 4DV A201 · binds PRO124, SER127, VAL128, TYR130, THR131, GLN134, LEU135, ALA138
  • 4YK5 · Crystal structures of mpges-1 inhibitor complexes · 4DV A201 · binds PRO124, SER127, VAL128, TYR130, THR131, GLN134, LEU135, ALA138

Residues it binds most

ALA 2, GLN 2, LEU 2, PRO 2, SER 2, THR 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • GSH · Glutathione
  • JZR · hexyl beta-D-glucopyranoside
  • BOG · octyl beta-D-glucopyranoside
  • PG0 · 2-(2-methoxyethoxy)ethanol
  • PG4 · Tetraethylene glycol

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