Table S1.45. Fragment 45 interactions with Asp

Fragment 45
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: 4SP
O6-cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
PDB codes: 1h1s, 2c6o, 2iw9.


  2. Ligand: DT1
4-{[5-(cyclohexylmethoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide
PDB code: 2c6i.


  3. Ligand: HDT
4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
PDB code: 1oit.


  4. Ligand: NFT
N-(2-aminoethyl)-n~2~-{(1s)-1-[4'-(aminosulfonyl)biphenyl-4-yl]-2,2,2-trifluoroethyl}-l-leucinamide
PDB code: 1vsn.


  5. Ligand: U32
4-[(5-isopropyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
PDB code: 2bts.