9 Warhead(s) |
Warhead Name | Warhead SMARTS | Warhead Structure |
#Ligands | #Proteins |
#Mechanisms | #Residues |
#Protein-Ligand Complex(es) |
| 1 | Alkyl Halide | [CX4]-[F,Br,Cl,I] |  |
31 | 29 | 3 | 7 | 44 |
| 2 | Alkyne | [#6][C]#[C][#6] |  |
4 | 5 | 2 | 3 | 5 |
| 3 | Amidosulfinic Acid | [*][N][S](=[O])[O] |  |
1 | 1 | 1 | 1 | 3 |
| 4 | Carboxylic Acid | [#6]-[CX3](=O)-[OX2H1,OX1-] |  |
21 | 19 | 3 | 4 | 25 |
| 5 | Diazomethyl Carbonyl | [*][CX3](=[O])[C]=[N+]=[N-] |  |
6 | 15 | 4 | 4 | 18 |
| 6 | Hemiacetal | [OX2H][CX4][OX2][#6] |  |
30 | 57 | 3 | 8 | 79 |
| 7 | Ketone | [#6][CX3](=[O])[#6] |  |
150 | 88 | 4 | 6 | 223 |
| 8 | Phosphonate | [#6][P]([O])([O])=O |  |
37 | 26 | 1 | 3 | 43 |
| 9 | Sulfonyl Halide | [#6][S](=O)(=O)[F,Cl,Br,I] |  |
20 | 20 | 1 | 3 | 27 |