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Ligand · 3BW

3BW · 4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide

3BW, 4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide (C19 H20 Cl N O4 S, 393.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
3BW
Formula
C19 H20 Cl N O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3BW in 2 structures; the first of them:

  • 4U3B · LpxC from A.Aaeolicus in complex with the MMP inhibitor… · 3BW A306 · binds ILE18, HIS19, HIS58, GLU73, HIS74, THR179, PHE180, ALA181 and 13 more
  • 4U3B · Lpxc from A.AAEOLICUS in complex with the mmp inhibitor 4-[[4-(4… · 3BW A306 · binds ILE18, HIS19, HIS58, GLU73, HIS74, THR179, PHE180, ALA181 and 13 more

Residues it binds most

HIS 2, ILE 2, GLY 2, LYS 2, THR 2, ALA 2, ASP 2, GLU 2, LEU 2, PHE 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CL · Chloride ion
  • IMD · Imidazole

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