Table S1.51. Fragment 51 interactions with Asp

Fragment 51
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: 3AY
Pyrimidine-2,4,6-triamine
PDB code: 2rbx.


  2. Ligand: 53R
5-[(3r)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
PDB codes: 3f0b, 3f0u.


  3. Ligand: 7IG
5-{4-[(3,5-difluorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine
PDB codes: 2g24, 2iko.


  4. Ligand: A13
4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PDB code: 2qfo.


  5. Ligand: CP6
5-(4-chloro-phenyl)-6-ethyl-pyrimidine-2,4-diamine
PDB code: 2bl9.


  6. Ligand: LG3
Pyrimidine-2,4-diamine
PDB code: 2eun.


  7. Ligand: TOP
Trimethoprim
PDB codes: 1dg5, 2w9g, 2w9h, 2w9s.


  8. Ligand: A91
3-({2-[(2-amino-6-methylpyrimidin-4-yl)ethynyl]benzyl}amino)-1,3-oxazol-2(3h)-one
PDB code: 2qg2.


  9. Ligand: A94
N-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-{[(e)-(2-oxodihydrofuran-3(2h)-
ylidene)methyl]amino}benzenesulfonamide
PDB code: 2qg0.


  10. Ligand: LGA
Pyrimidin-2-amine
PDB code: 2jjc.