93 Warhead(s)
Warhead Name
Warhead SMARTS
Warhead Structure
#Ligands
#Proteins
#Mechanisms
#Residues
#Protein-Ligand Complex(es)
26 Aryloxymethyl Carbonyl [*][CX3](=[O])[#6]-[O][#6] 2 2 1 1 2
27 Aryl Sulfone [#6][S](=[O])(=[O])[#6] 4 3 1 2 4
28 Azide [#6][N]=[N+]=[N-] 1 1 1 1 1
29 Aziridine [C;r3][N;r3][C;r3] 15 14 1 3 18
30 Beta-Lactam [O-0X1]=[C]1[C][C][N]1 102 79 4 3 284
31 Beta-Lactone [O-0X1]=[C]1[C][C][O]1 5 8 1 4 11
32 Beta-Sulfanylvinyl Carbonyl [#6][S][C]=[C]-[CX3](=[O])[*] 1 1 1 1 1
33 Beta-Sulfonylvinyl Carbonyl [#6][S](=O)(=O)[C]=[C]-[CX3](=[O])[*] 1 1 1 1 1
34 Beta-Sulfonylvinyl Nitrile [#6][S](=O)(=O)[C]=[C]-[C]#[N] 1 1 1 1 1
35 Beta-Sultam [O]=[S]1(=[O])[C][C][N]1 5 5 1 1 7
36 Borate [*][O][B]([O])[O][*] 2 2 1 2 2
37 Boronic Acid [#6]-[B]([O])[O] 131 55 2 6 202
38 Butadienyl Carbonyl [C]=[C][C]=[C]-[CX3](=[O])[*] 6 2 1 2 7
39 Carbamate [#6]-[N]-[CX3](=O)-[O]-[#6] 8 6 1 2 9
40 Carbamide [#6][N,n][CX3](=O)[N,n][#6] 3 3 2 2 3
41 Carbodiimide [#6][N]=[C]=[N][#6] 1 5 1 1 5
42 Carbonate [#6][O][C](=O)[O][#6] 2 2 1 1 7
43 Carboxylic Acid [#6]-[CX3](=O)-[OX2H1,OX1-] 21 19 3 4 25
44 Catechol [O][c]1[c][c][c][c][c]1[O] 2 2 1 1 2
45 Cyanamide [#6][NX3][C]#[N] 6 5 1 2 6
46 Diazo Compound [#6][N]=[N][#6] 1 1 1 1 1
47 Diazomethyl Carbonyl [*][CX3](=[O])[C]=[N+]=[N-] 6 15 4 4 18
48 Disulfanyl-Ester [#6][SX2][SX2]-[CX3](=O)-[O][#6] 2 1 2 1 3
49 Disulfide [#6][S][S][#6] 26 15 1 1 30
50 Enamine [#6][C]=[C][#7] 1 1 1 1 1