24 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 Aminium Ion [#6][NX4+,nX3+] 8 7 2 3 14
5 Aryl Halide [c][F,Br,Cl,I] 19 18 1 3 31
6 Azide [#6][N]=[N+]=[N-] 1 1 1 1 1
7 Beta-Lactam [O-0X1]=[C]1[C][C][N]1 102 79 4 3 284
8 Boronic Acid [#6]-[B]([O])[O] 131 55 2 5 202
9 Carboxylic Acid [#6]-[CX3](=O)-[OX2H1,OX1-] 21 19 3 4 25
10 Cyanamide [#6][NX3][C]#[N] 6 5 1 2 6
11 Diazo Compound [#6][N]=[N][#6] 1 1 1 1 1
12 Epoxide [C;r3][O;r3][C;r3] 77 56 3 7 125
13 Ester [#6][CX3](=[O])-[O]-[#6] 12 13 2 3 16
14 Furan [#8]1:[#6]:[#6]:[#6]:[#6]1 1 1 1 1 1
15 Halomethyl Carbonyl [*][CX3](=[O])[CX4]-[F,Cl,Br,I] 112 57 5 7 145
16 Hemiacetal [OX2H][CX4][OX2][#6] 30 57 3 8 79
17 Ketone [#6][CX3](=[O])[#6] 150 88 4 6 223
18 Nitrile [C,c]-[C,c]#[N,n] 85 20 3 3 93
19 O-Acyl Hydroxamic Acid [*][C](=[O])[N,n][O][C](=[O])[*] 4 4 2 2 5
20 Phosphate [*][O][P]([O])([O])=O 8 29 1 4 32
21 Sulfonyl Halide [#6][S](=O)(=O)[F,Cl,Br,I] 20 20 1 3 27
22 Thiocarboxylic Acid [#6]-[CX3](=S)-[OX2H1,OX1-] 1 1 1 1 2
23 Vinyl Carbonyl [C]=[C]-[CX3](=[O])[*] 235 105 4 5 308
24 Vinyl Sulfonyl [C]=[C]-[S](=[O])(=[O])[*] 33 16 1 2 38