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Ligand · 9GD

9GD · 2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid

9GD, 2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid (C32 H39 Cl N4 O6 S2, 675.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
9GD
Formula
C32 H39 Cl N4 O6 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

9GD in 2 structures; the first of them:

  • 5ML6 · The crystal structure of PDE6D in complex to inhibitor-8 · 9GD B201 · binds LEU17, MET20, LEU22, TRP32, LEU38, ALA47, VAL49, ILE53 and 23 more
  • 5ML6 · The crystal structure of PDE6D in complex to inhibitor-8 · 9GD B201 · binds LEU17, MET20, LEU22, TRP32, LEU38, ALA47, VAL49, ILE53 and 23 more

Residues it binds most

LEU 2, VAL 2, ILE 2, MET 2, GLN 2, GLU 2, TRP 2, ALA 2, ARG 2, CYS 2 (residue and the binding sites it lines).

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