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Ligand · BXB

BXB · N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide

BXB, N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide (C15 H11 Cl2 N O3, 324.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
BXB
Formula
C15 H11 Cl2 N O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

BXB in 4 structures; the first of them:

  • 3INJ · Human Mitochondrial Aldehyde Dehydrogenase complexed with agonist Alda-1 · BXB A1001 · binds VAL120, MET124, PHE170, LEU173, MET174, TRP177, PHE292, PHE296 and 7 more
  • 3INL · Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with agonist… · BXB A1001 · binds VAL120, MET124, PHE170, LEU173, TRP177, PHE292, PHE296, CYS301 and 5 more
  • 3INJ · Human mitochondrial aldehyde dehydrogenase complexed with agonist alda-1 · BXB A1001 · binds VAL120, MET124, PHE170, LEU173, MET174, TRP177, PHE292, PHE296 and 7 more
  • 3INL · Human mitochondrial aldehyde dehydrogenase asian variant, ALDH2*2, complexed with agonist… · BXB A1001 · binds VAL120, MET124, PHE170, LEU173, TRP177, PHE292, PHE296, CYS301 and 5 more

Residues it binds most

PHE 32, VAL 32, CYS 32, MET 32, ASP 32, LEU 32, TRP 32, TYR 26 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • EDO · 1,2-ethanediol
  • GAI · Guanidine

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