7 Warhead(s) |
Warhead Name | Warhead SMARTS | Warhead Structure |
#Ligands | #Proteins |
#Mechanisms | #Residues |
#Protein-Ligand Complex(es) |
| 1 | Amitrole | [#7][c]1[n][c][n][n]1 |  |
1 | 1 | 1 | 1 | 1 |
| 2 | Aryl Halide | [c][F,Br,Cl,I] |  |
19 | 18 | 1 | 3 | 31 |
| 3 | Aryl Sulfone | [#6][S](=[O])(=[O])[#6] |  |
4 | 3 | 1 | 2 | 4 |
| 4 | Azide | [#6][N]=[N+]=[N-] |  |
1 | 1 | 1 | 1 | 1 |
| 5 | Catechol | [O][c]1[c][c][c][c][c]1[O] |  |
2 | 2 | 1 | 1 | 2 |
| 6 | Nitrile | [C,c]-[C,c]#[N,n] |  |
85 | 20 | 3 | 3 | 93 |
| 7 | Purine | [#7]1:[#6]:[#7]:[#6]2:[#7]:[#6]:[#7]:[#6]:[#6]12 |  |
1 | 1 | 1 | 1 | 2 |