12 Warhead(s) |
Warhead Name | Warhead SMARTS | Warhead Structure |
#Ligands | #Proteins |
#Mechanisms | #Residues |
#Protein-Ligand Complex(es) |
| 1 | Aldehyde | [#6][CX3H1](=[O]) |  |
99 | 59 | 5 | 7 | 134 |
| 2 | Amide | [#6][CX3](=O)[N][#6] |  |
2 | 2 | 1 | 2 | 2 |
| 3 | Borate | [*][O][B]([O])[O][*] |  |
2 | 2 | 1 | 2 | 2 |
| 4 | Boronic Acid | [#6]-[B]([O])[O] |  |
131 | 55 | 2 | 5 | 202 |
| 5 | Diazomethyl Carbonyl | [*][CX3](=[O])[C]=[N+]=[N-] |  |
6 | 15 | 4 | 4 | 18 |
| 6 | Epoxide | [C;r3][O;r3][C;r3] |  |
77 | 56 | 3 | 7 | 125 |
| 7 | Halomethyl Carbonyl | [*][CX3](=[O])[CX4]-[F,Cl,Br,I] |  |
112 | 57 | 5 | 7 | 145 |
| 8 | Hemiacetal | [OX2H][CX4][OX2][#6] |  |
30 | 57 | 3 | 8 | 79 |
| 9 | Imidoyl Halide | [F,Cl,Br,I][#6]=[N] |  |
2 | 5 | 1 | 2 | 5 |
| 10 | Ketone | [#6][CX3](=[O])[#6] |  |
150 | 88 | 4 | 6 | 223 |
| 11 | Phosphonate | [#6][P]([O])([O])=O |  |
37 | 26 | 1 | 3 | 43 |
| 12 | Vinyl Carbonyl | [C]=[C]-[CX3](=[O])[*] |  |
235 | 105 | 4 | 5 | 308 |