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Ligand · 4U8

4U8 · 5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1H-indole-2-carboxylic acid

4U8, 5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1H-indole-2-carboxylic acid (C28 H29 N O3, 427.5 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…

Component
4U8
Formula
C28 H29 N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

4U8 in 2 structures; the first of them:

  • 4YL1 · Crystal Structures of mPGES-1 Inhibitor Complexes · 4U8 A201 · binds PRO124, SER127, VAL128, THR131, LEU132, LEU135
  • 4YL1 · Crystal structures of mpges-1 inhibitor complexes · 4U8 A201 · binds PRO124, SER127, VAL128, THR131, LEU132, LEU135

Residues it binds most

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

Found with

  • GSH · Glutathione
  • BOG · octyl beta-D-glucopyranoside
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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