Table S1.60. Fragment 60 interactions with Asp

Fragment 60
Listed below are the ligands in the PDB that contain the chemical fragment shown on the left and which interact via this fragment with the side chain of a Asp residue via hydrogen bonds.

The PDB codes are hyperlinked to a schematic LIGPLOT diagram in PDBsum.

Ligand Description


  1. Ligand: BD2
3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxybenzoyl)benzoate
PDB code: 1re8.


  2. Ligand: R55
N-[4-({4-[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide
PDB code: 1xh8.


  3. Ligand: R68
N-{4-[(4-{3-[(2r)-3,3-dimethylpiperidin-2-yl]-2-fluoro-6-hydroxybenzoyl}benzoyl)amino]azepan-3-
yl}isonicotinamide
PDB code: 1xh5.


  4. Ligand: R69
N-[4-({4-[5-(dimethylamino)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide
PDB code: 1xh9.


  5. Ligand: R94
N-(4-{[4-(2-hydroxy-5-piperidin-1-ylbenzoyl)benzoyl]amino}azepan-3-yl)isonicotinamide
PDB code: 1xh6.