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Ligand · 5BB

5BB · 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one

5BB, 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one (C25 H37 Br N4 O4 S, 569.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
5BB
Formula
C25 H37 Br N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

5BB in 2 structures; the first of them:

  • 4IA0 · Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors · 5BB A901 · binds TYR612, HIS613, THR723, LEU725, THR761, ASP764, LEU765, ILE768 and 9 more
  • 4IA0 · Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors · 5BB A901 · binds TYR612, HIS613, THR723, LEU725, THR761, ASP764, LEU765, ILE768 and 9 more

Residues it binds most

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

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion

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