Table S1.4. Fragment 4 interactions with Asp |
|
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: 239 6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-2-naphthamide PDB code: 1owh. |
|||||||||||||||||||||||
|
2. Ligand: 421 6-carbamimidoyl-4-(3-hydroxy-2-methyl-benzoylamino)-naphthalene-2-carboxylic acid methyl ester PDB code: 1zsk. |
|||||||||||||||||||||||
|
3. Ligand: 675 6-[(z)-amino(imino)methyl]-n-phenyl-2-naphthamide PDB code: 1owe. |
|||||||||||||||||||||||
|
4. Ligand: 709 N-(7-carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide PDB code: 1zsj. |
|||||||||||||||||||||||
|
5. Ligand: 711 7-[[6-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-2-methyl-benzimidazol-1-yl]methyl]naphthalene-2- carboximidamid PDB code: 1qbo. |
|||||||||||||||||||||||
|
6. Ligand: 745 Trans-6-(2-phenylcyclopropyl)-naphthalene-2-carboxamidine PDB code: 1u6q. |
|||||||||||||||||||||||
|
7. Ligand: 806 7-[[2-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-9h-carbozol-9-yl]methyl]naphthalene-2-carboximidamid PDB code: 1qb9. |
|||||||||||||||||||||||
|
8. Ligand: BX3 (+)-2-[4-[(-1-acetimidoyl-4-piperidinyl)oxy]-3-(7-amidino-2-naphthyl)propionic acid PDB codes: 1mts, 1mtu, 1mtv. |
|||||||||||||||||||||||
|
9. Ligand: DX9 (2s)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3r)-1-[(1z)-ethanimidoyl]pyrrolidin-3- yl}oxy)phenyl]propanoic acid PDB code: 1mtw. |
|||||||||||||||||||||||
|
10. Ligand: UI1 6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-4-(pyrimidin-2-ylamino)-2-naphthamide PDB code: 1sqa. |
|||||||||||||||||||||||
|
11. Ligand: UI2 8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide PDB code: 1sqo. |
|||||||||||||||||||||||
|
12. Ligand: UI3 7-methoxy-8-[1-(methylsulfonyl)-1h-pyrazol-4-yl]naphthalene-2-carboximidamide PDB code: 1sqt. |
|||||||||||||||||||||||