WARHEADS



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118 Warhead(s)
1
79

1,3‐Oxazin‐6‐one
Warhead ID: 79
O=[#6]1:[#8]:[#6]:[#7]:[#6]:[#6]1
Ligands 2
Proteins 2
Residues 2
Complexes 2
2
33

1-Hydroxy-2,6-Dioxa-3-Oxophosphorinone
Warhead ID: 33
[O][P]1(=[O])[O][#6](=[O])[#6]=[#6][O]1
Ligands 2
Proteins 1
Residues 1
Complexes 2
3
55

2‐Methylisoxazolium
Warhead ID: 55
[#6]-[#7+]1:[#6]:[#6]:[#6]:[#8]:1
Ligands 1
Proteins 1
Residues 1
Complexes 1
4
89

3H‐1,3‐Oxazine‐2,6‐Dione
Warhead ID: 89
O=[#6]1:[#7]:[#6]:[#6]:[#6](=O):[#8]1
Ligands 1
Proteins 1
Residues 1
Complexes 1
5
73

4-Halo-Alpha-Pyrone
Warhead ID: 73
[#8]=[#6]1:[#8]:[#6]:[#6]([F,Cl,Br,I]):[#6][#6]:1
Ligands 6
Proteins 3
Residues 2
Complexes 7
6
72

Acetal
Warhead ID: 72
[#6][OX2][CX4][OX2][#6]
Ligands 5
Proteins 8
Residues 4
Complexes 14
7
119

Acyl Halide
Warhead ID: 119
[#6][CX3](=O)[F,Br,Cl,I]
Ligands 1
Proteins 2
Residues 1
Complexes 2
8
39

Acyl Phosphonate
Warhead ID: 39
[#6][CX3](=O)[P]([O])([O])=O
Ligands 1
Proteins 1
Residues 1
Complexes 1
9
22

Acyloxymethyl Carbonyl
Warhead ID: 22
[*][CX3](=[O])[C][O][CX3](=[O])[*]
Ligands 15
Proteins 10
Residues 1
Complexes 23
10
19

Alcohol
Warhead ID: 19
[CX4,c]-[OX2H1,OX1-]
Ligands 2
Proteins 2
Residues 2
Complexes 2
11
5

Aldehyde
Warhead ID: 5
[#6][CX3H1](=[O])
Ligands 409
Proteins 132
Residues 9
Complexes 633
12
96

Alkene
Warhead ID: 96
[#6][C]=[C][#6]
Ligands 8
Proteins 10
Residues 3
Complexes 12
13
40

Alkyl Halide
Warhead ID: 40
[CX4]-[F,Br,Cl,I]
Ligands 66
Proteins 62
Residues 7
Complexes 118
14
30

Alkyne
Warhead ID: 30
[#6][C]#[C][#6]
Ligands 14
Proteins 15
Residues 4
Complexes 20
15
77

Allyl Vinyl Ether
Warhead ID: 77
[c][c][O][#6][C]=[C]
Ligands 4
Proteins 3
Residues 3
Complexes 4
16
116

Alpha-Cyanovinyl
Warhead ID: 116
[C]=[C]([C]#[N])[*]
Ligands 1
Proteins 1
Residues 1
Complexes 1
17
12

Alpha-Cyanovinyl Carbonyl
Warhead ID: 12
[C]=[C]([C]#[N])-[C](=[O])[*]
Ligands 29
Proteins 67
Residues 4
Complexes 101
18
57

Alpha-Cyclosulfate
Warhead ID: 57
O=S1(=O)[#8]-[#6]-[#6]-[#8]1
Ligands 5
Proteins 6
Residues 2
Complexes 6
19
61

Alpha-Hydroxy Sulfonic Acid
Warhead ID: 61
[#6]([OH1])[S](=[O])(=[O])[O]
Ligands 111
Proteins 16
Residues 1
Complexes 203
20
82

Alpha-Pyrone
Warhead ID: 82
[#8]=[#6]1:[#8]:[#6]:[#6]:[#6][#6]:1
Ligands 2
Proteins 7
Residues 3
Complexes 7
21
53

Amide
Warhead ID: 53
[#6][CX3](=O)[N][#6]
Ligands 12
Proteins 10
Residues 4
Complexes 17
22
83

Amidine
Warhead ID: 83
[*]-[N]-[C](=[N])-[CX4]
Ligands 2
Proteins 1
Residues 1
Complexes 2
23
90

Amidosulfinic Acid
Warhead ID: 90
[*][N][S](=[O])[O]
Ligands 1
Proteins 1
Residues 1
Complexes 3
24
29

Aminium Ion
Warhead ID: 29
[#6][NX4+,nX3+]
Ligands 10
Proteins 10
Residues 4
Complexes 19
25
101

Aminoisothiazole
Warhead ID: 101
[O]=[#6]1[#6][#6][#16][#7]1
Ligands 1
Proteins 1
Residues 1
Complexes 2
26
36

Amitrole
Warhead ID: 36
[#7][c]1[n][c][n][n]1
Ligands 1
Proteins 2
Residues 1
Complexes 2
27
88

Arsenic Acid
Warhead ID: 88
[#6][As](=[O])([O])[O]
Ligands 1
Proteins 2
Residues 1
Complexes 2
28
86

Arsine Oxide
Warhead ID: 86
[#6][As]=[O]
Ligands 1
Proteins 2
Residues 1
Complexes 5
29
25

Aryl Halide
Warhead ID: 25
[c][F,Br,Cl,I]
Ligands 55
Proteins 34
Residues 4
Complexes 123
30
42

Aryl Sulfone
Warhead ID: 42
[#6][S](=[O])(=[O])[#6]
Ligands 13
Proteins 9
Residues 2
Complexes 15
31
64

Aryloxymethyl Carbonyl
Warhead ID: 64
[*][CX3](=[O])[#6]-[O][#6]
Ligands 2
Proteins 2
Residues 1
Complexes 2
32
97

Azetidine
Warhead ID: 97
[C;r4][N;r4][C;r4][C;r4]
Ligands 1
Proteins 1
Residues 1
Complexes 1
33
50

Azide
Warhead ID: 50
[#6][N]=[N+]=[N-]
Ligands 2
Proteins 2
Residues 2
Complexes 2
34
37

Aziridine
Warhead ID: 37
[C;r3][N;r3][C;r3]
Ligands 29
Proteins 26
Residues 3
Complexes 40
35
109

Beta-Hydroxyethanolamine
Warhead ID: 109
[O][N][C][C][O]
Ligands 1
Proteins 2
Residues 1
Complexes 2
36
14

Beta-Lactam
Warhead ID: 14
[O-0X1]=[C]1[C][C][N]1
Ligands 144
Proteins 146
Residues 4
Complexes 534
37
38

Beta-Lactone
Warhead ID: 38
[O-0X1]=[C]1[C][C][O]1
Ligands 31
Proteins 20
Residues 9
Complexes 52
38
58

Beta-Sulfanylvinyl Carbonyl
Warhead ID: 58
[#6][S][C]=[C]-[CX3](=[O])[*]
Ligands 1
Proteins 1
Residues 1
Complexes 1
39
56

Beta-Sulfonylvinyl Carbonyl
Warhead ID: 56
[#6][S](=O)(=O)[C]=[C]-[CX3](=[O])[*]
Ligands 1
Proteins 1
Residues 1
Complexes 1
40
66

Beta-Sulfonylvinyl Nitrile
Warhead ID: 66
[#6][S](=O)(=O)[C]=[C]-[C]#[N]
Ligands 1
Proteins 1
Residues 1
Complexes 1
41
63

Beta-Sultam
Warhead ID: 63
[O]=[S]1(=[O])[C][C][N]1
Ligands 6
Proteins 8
Residues 1
Complexes 10
42
31

Borate
Warhead ID: 31
[*][O][B]([O])[O][*]
Ligands 3
Proteins 4
Residues 2
Complexes 14
43
120

Borinic Acid
Warhead ID: 120
[#6][B]([O])[#6]
Ligands 1
Proteins 1
Residues 1
Complexes 1
44
8

Boronic Acid
Warhead ID: 8
[#6]-[B]([O])[O]
Ligands 206
Proteins 114
Residues 6
Complexes 397
45
45

Butadienyl Carbonyl
Warhead ID: 45
[C]=[C][C]=[C]-[CX3](=[O])[*]
Ligands 12
Proteins 6
Residues 3
Complexes 15
46
49

Carbamate
Warhead ID: 49
[#6]-[N]-[CX3](=O)-[O]-[#6]
Ligands 19
Proteins 12
Residues 2
Complexes 21
47
67

Carbamide
Warhead ID: 67
[#6][N,n][CX3](=O)[N,n][#6]
Ligands 15
Proteins 47
Residues 3
Complexes 89
48
70

Carbodiimide
Warhead ID: 70
[#6][N]=[C]=[N][#6]
Ligands 2
Proteins 7
Residues 2
Complexes 8
49
62

Carbonate
Warhead ID: 62
[#6][O][C](=O)[O][#6]
Ligands 2
Proteins 2
Residues 1
Complexes 7
50
20

Carboxylic Acid
Warhead ID: 20
[#6]-[CX3](=O)-[OX2H1,OX1-]
Ligands 23
Proteins 23
Residues 4
Complexes 30