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Ligand · 3NB

3NB · 1-(3,4,5-trihydroxyphenyl)octan-1-one

3NB, 1-(3,4,5-trihydroxyphenyl)octan-1-one (C14 H20 O4, 252.3 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 binds most and the ligands…

Component
3NB
Formula
C14 H20 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

3NB in 2 structures; the first of them:

  • 4WHG · Crystal Structure of TR3 LBD in complex with Molecule 3 · 3NB A302 · binds LEU118, PHE158, LEU175, LEU178, VAL179, ILE181, THR182, GLN197 and 5 more
  • 4WHG · Crystal structure of TR3 lbd in complex with molecule 3 · 3NB A302 · binds LEU118, PHE158, LEU175, LEU178, VAL179, ILE181, THR182, GLN197 and 5 more

Residues it binds most

LEU 2, GLN 2, ILE 2, LYS 2, PHE 2, THR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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