21 Mechanism(s) |
Mechanism Name | #Ligands | #Proteins |
#Warheads | #Residues |
#Protein-Ligand Complex(es) |
| 1 | Aziridine Opening | 15 | 14 | 1 | 3 | 18 |
| 2 | Beta-Lactam Addition | 101 | 78 | 1 | 3 | 280 |
| 3 | Borylation | 132 | 56 | 3 | 4 | 200 |
| 4 | Composite Reaction | 31 | 30 | 14 | 8 | 42 |
| 5 | Cyclohemiaminoacetalization | 11 | 7 | 4 | 2 | 12 |
| 6 | Disulfide Formation | 51 | 35 | 3 | 1 | 62 |
| 7 | Epoxide Opening | 69 | 53 | 1 | 7 | 116 |
| 8 | Hemiaminalization | 10 | 10 | 2 | 2 | 13 |
| 9 | Hemi(thio)acetalization | 180 | 82 | 4 | 5 | 243 |
| 10 | Imidazolidinone Opening | 11 | 25 | 1 | 1 | 53 |
| 11 | Imine Condensation | 75 | 51 | 4 | 3 | 123 |
| 12 | Lactone Addition | 23 | 17 | 4 | 4 | 29 |
| 13 | Michael Addition | 289 | 116 | 11 | 5 | 363 |
| 14 | Nucleophilic Acyl Substitution | 92 | 96 | 17 | 8 | 140 |
| 15 | Nucleophilic Addition to a Double Bond | 30 | 25 | 13 | 4 | 44 |
| 16 | Nucleophilic Addition to a Triple Bond | 94 | 26 | 4 | 4 | 100 |
| 17 | Nucleophilic Aliphatic Subsititution | 167 | 112 | 18 | 10 | 226 |
| 18 | Nucleophilic Aromatic Substitution | 29 | 25 | 7 | 5 | 43 |
| 19 | Phosphorylation | 63 | 65 | 6 | 6 | 116 |
| 20 | Ring Opening | 32 | 24 | 13 | 6 | 41 |
| 21 | Sulfonylation | 21 | 21 | 2 | 3 | 30 |