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Ligand · K78

K78 · 2-bromo-4-tert-butyl-6-{[(3-phenylpropyl)amino]methyl}phenol

K78, 2-bromo-4-tert-butyl-6-{[(3-phenylpropyl)amino]methyl}phenol (C20 H26 Br N O, 376.3 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
K78
Formula
C20 H26 Br N O
Class
ligand
Structures
2
PDB entries
1

Binding sites

K78 in 2 structures; the first of them:

  • 5AI9 · ligand complex structure of soluble epoxide hydrolase · K78 A1552 · binds PHE267, PRO268, ASP335, TRP336, MET339, THR360, PHE381, TYR383 and 11 more
  • 5AI9 · Ligand complex structure of soluble epoxide hydrolase · K78 A1552 · binds PHE267, PRO268, ASP335, TRP336, MET339, THR360, PHE381, TYR383 and 11 more

Residues it binds most

PHE 2, ASP 2, LEU 2, MET 2, TRP 2, TYR 2, GLN 2, HIS 2, PRO 2, THR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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