Table S2.5. Fragment 5 interactions with Glu

Fragment 5
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 Glu residue via hydrogen bonds.

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

Ligand Description


  1. Ligand: TQD
(2r,6s)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine
PDB code: 1s3v.


  2. Ligand: TQT
6-(octahydro-1h-indol-1-ylmethyl)decahydroquinazoline-2,4-diamine
PDB code: 1s3w.