18 Warhead(s)
Warhead Name
Warhead SMARTS
Warhead Structure
#Ligands
#Proteins
#Mechanisms
#Residues
#Protein-Ligand Complex(es)
1 Acetal [#6][OX2][CX4][OX2][#6] 1 1 1 1 1
2 Acyloxymethyl Carbonyl [*][CX3](=[O])[C][O][CX3](=[O])[*] 10 9 1 1 14
3 Alcohol [CX4,c]-[OX2H1,OX1-] 1 1 1 1 1
4 Alkyl Halide [CX4]-[F,Br,Cl,I] 31 29 3 7 44
5 Allyl Vinyl Ether [c][c][O][#6][C]=[C] 2 2 2 2 2
6 Aminium Ion [#6][NX4+,nX3+] 8 7 2 3 14
7 Aryloxymethyl Carbonyl [*][CX3](=[O])[#6]-[O][#6] 2 2 1 1 2
8 Beta-Lactam [O-0X1]=[C]1[C][C][N]1 102 79 4 3 284
9 Diazo Compound [#6][N]=[N][#6] 1 1 1 1 1
10 Diazomethyl Carbonyl [*][CX3](=[O])[C]=[N+]=[N-] 6 15 4 4 18
11 Halomethyl Amidine [*]-[N]-[C](=[N])-[CX4]-[F,Cl,Br,I] 4 3 1 1 4
12 Halomethyl Carbonyl [*][CX3](=[O])[CX4]-[F,Cl,Br,I] 112 57 5 7 145
13 Hemiacetal [OX2H][CX4][OX2][#6] 30 57 3 8 79
14 Hydrazide [*][CX3](=[O])[#7]~[#7] 9 5 3 2 9
15 Imidoyl Halide [F,Cl,Br,I][#6]=[N] 2 5 1 2 5
16 Mannich Base [OH1][c][c][#6][N,n][#6] 3 2 1 2 3
17 Nitrile [C,c]-[C,c]#[N,n] 85 20 3 3 93
18 O-Acyl Hydroxamic Acid [*][C](=[O])[N,n][O][C](=[O])[*] 4 4 2 2 5