14 Warhead(s)
Warhead Name
Warhead SMARTS
Warhead Structure
#Ligands
#Proteins
#Mechanisms
#Residues
#Protein-Ligand Complex(es)
1 4-Halo-Alpha-Pyrone [#8]=[#6]1:[#8]:[#6]:[#6]([F,Cl,Br,I]):[#6][#6]:1 5 3 1 2 5
2 Aldehyde [#6][CX3H1](=[O]) 99 59 5 7 134
3 Alkyl Halide [CX4]-[F,Br,Cl,I] 31 29 3 7 44
4 Alpha-Cyanovinyl Carbonyl [C]=[C]([C]#[N])-[C](=[O])[*] 12 8 1 2 12
5 Amitrole [#7][c]1[n][c][n][n]1 1 1 1 1 1
6 Beta-Lactone [O-0X1]=[C]1[C][C][O]1 5 8 1 4 11
7 Boronic Acid [#6]-[B]([O])[O] 131 55 2 5 202
8 Epoxide [C;r3][O;r3][C;r3] 77 56 3 7 125
9 Halomethyl Carbonyl [*][CX3](=[O])[CX4]-[F,Cl,Br,I] 112 57 5 7 145
10 Ketone [#6][CX3](=[O])[#6] 150 88 4 6 223
11 Phosphate [*][O][P]([O])([O])=O 8 29 1 4 32
12 Propargyl Carbonyl [C]#[C]-[C](=[O])[*] 3 2 1 2 3
13 Vinyl Carbonyl [C]=[C]-[CX3](=[O])[*] 235 105 4 5 308
14 Vinyl Halide [F,Cl,Br,I][C]=[C] 1 1 1 1 1