17 Warhead(s)
Warhead Name
Warhead SMARTS
Warhead Structure
#Ligands
#Proteins
#Mechanisms
#Residues
#Protein-Ligand Complex(es)
1 Acyl Phosphonate [#6][CX3](=O)[P]([O])([O])=O 1 1 1 1 1
2 Alkyl Halide [CX4]-[F,Br,Cl,I] 31 29 3 7 44
3 Allyl Vinyl Ether [c][c][O][#6][C]=[C] 2 2 2 2 2
4 Amide [#6][CX3](=O)[N][#6] 2 2 1 2 2
5 Aminium Ion [#6][NX4+,nX3+] 8 7 2 3 14
6 Carbamate [#6]-[N]-[CX3](=O)-[O]-[#6] 8 6 1 2 9
7 Carbamide [#6][N,n][CX3](=O)[N,n][#6] 3 3 2 2 3
8 Carboxylic Acid [#6]-[CX3](=O)-[OX2H1,OX1-] 21 19 3 4 25
9 Disulfanyl-Ester [#6][SX2][SX2]-[CX3](=O)-[O][#6] 2 1 2 1 3
10 Ester [#6][CX3](=[O])-[O]-[#6] 12 13 2 3 16
11 Halomethyl Carbonyl [*][CX3](=[O])[CX4]-[F,Cl,Br,I] 112 57 5 7 145
12 Hemiacetal [OX2H][CX4][OX2][#6] 30 57 3 8 79
13 Hydrazide [*][CX3](=[O])[#7]~[#7] 9 5 3 2 9
14 O-Acyl Hydroxamic Acid [*][C](=[O])[N,n][O][C](=[O])[*] 4 4 2 2 5
15 Sulfamate [#6][O][S](=[O])(=[O])[#7] 2 2 1 1 2
16 Thiocarboxylic Acid [#6]-[CX3](=S)-[OX2H1,OX1-] 1 1 1 1 2
17 Thioster [#6][CX3](=O)[S][#6] 2 2 1 2 2