14 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 Alkyl Halide [CX4]-[F,Br,Cl,I] 31 29 3 7 44
3 Alkyne [#6][C]#[C][#6] 4 5 2 3 5
4 Beta-Lactam [O-0X1]=[C]1[C][C][N]1 102 79 4 3 284
5 Boronic Acid [#6]-[B]([O])[O] 131 55 2 5 202
6 Carboxylic Acid [#6]-[CX3](=O)-[OX2H1,OX1-] 21 19 3 4 25
7 Diazomethyl Carbonyl [*][CX3](=[O])[C]=[N+]=[N-] 6 15 4 4 18
8 Disulfanyl-Ester [#6][SX2][SX2]-[CX3](=O)-[O][#6] 2 1 2 1 3
9 Epoxide [C;r3][O;r3][C;r3] 77 56 3 7 125
10 Halomethyl Carbonyl [*][CX3](=[O])[CX4]-[F,Cl,Br,I] 112 57 5 7 145
11 Hemiacetal [OX2H][CX4][OX2][#6] 30 57 3 8 79
12 Ketone [#6][CX3](=[O])[#6] 150 88 4 6 223
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