13 Warhead(s) |
Warhead Name | Warhead SMARTS | Warhead Structure |
#Ligands | #Proteins |
#Mechanisms | #Residues |
#Protein-Ligand Complex(es) |
| 1 | 2‐Methylisoxazolium | [#6]-[#7+]1:[#6]:[#6]:[#6]:[#8]:1 |  |
1 | 1 | 1 | 1 | 1 |
| 2 | Acetal | [#6][OX2][CX4][OX2][#6] |  |
1 | 1 | 1 | 1 | 1 |
| 3 | Alkyl Halide | [CX4]-[F,Br,Cl,I] |  |
31 | 29 | 3 | 7 | 44 |
| 4 | Alpha-Cyclosulfate | O=S1(=O)[#8]-[#6]-[#6]-[#8]1 |  |
2 | 2 | 1 | 2 | 2 |
| 5 | Aminium Ion | [#6][NX4+,nX3+] |  |
8 | 7 | 2 | 3 | 14 |
| 6 | Aziridine | [C;r3][N;r3][C;r3] |  |
15 | 14 | 1 | 3 | 18 |
| 7 | Beta-Lactone | [O-0X1]=[C]1[C][C][O]1 |  |
5 | 8 | 1 | 4 | 11 |
| 8 | Boronic Acid | [#6]-[B]([O])[O] |  |
131 | 55 | 2 | 5 | 202 |
| 9 | Carbodiimide | [#6][N]=[C]=[N][#6] |  |
1 | 5 | 1 | 1 | 5 |
| 10 | Epoxide | [C;r3][O;r3][C;r3] |  |
77 | 56 | 3 | 7 | 125 |
| 11 | Halomethyl Carbonyl | [*][CX3](=[O])[CX4]-[F,Cl,Br,I] |  |
112 | 57 | 5 | 7 | 145 |
| 12 | Hemiacetal | [OX2H][CX4][OX2][#6] |  |
30 | 57 | 3 | 8 | 79 |
| 13 | Thiirane | [C;r3][S;r3][C;r3] |  |
2 | 2 | 1 | 1 | 3 |