93 Warhead(s)
Warhead Name
Warhead SMARTS
Warhead Structure
#Ligands
#Proteins
#Mechanisms
#Residues
#Protein-Ligand Complex(es)
51 Epoxide [C;r3][O;r3][C;r3] 77 56 3 7 125
52 Ester [#6][CX3](=[O])-[O]-[#6] 12 13 2 3 16
53 Furan [#8]1:[#6]:[#6]:[#6]:[#6]1 1 1 1 1 1
54 Gamma-Lactam [O-0X1]=[C]1[C][C][C][N]1 3 1 1 1 7
55 Gamma-Lactone O=[#6]-1-[#6]-[#6]-[#6]-[#8]-1 12 5 1 2 12
56 Haloisocyanide [#6][N+]#[C][F,Cl,I,Br] 1 1 1 1 1
57 Halomethyl Amidine [*]-[N]-[C](=[N])-[CX4]-[F,Cl,Br,I] 4 3 1 1 4
58 Halomethyl Carbonyl [*][CX3](=[O])[CX4]-[F,Cl,Br,I] 112 57 5 8 145
59 Hemiacetal [OX2H][CX4][OX2][#6] 30 57 3 8 79
60 Hydrazide [*][CX3](=[O])[#7]~[#7] 9 5 3 2 9
61 Imidazolidinone [O]=[C]1[N][C][C][N]1 11 25 1 1 53
62 Imidoyl Halide [F,Cl,Br,I][#6]=[N] 2 5 1 2 5
63 Isoselenazolinone [O]=[#6]1[#6][#6][Se][#7]1 4 3 1 1 6
64 Isothiazolinone [O]=[#6]1[#6][#6][#16][#7]1 5 5 1 1 5
65 Isothiocyanate [#6][N]=[C]=[S] 6 2 1 2 6
66 Isoxazolidin-3-one [#8]=[#6]1-[#6]-[#6]-[#8]-[#7]-1 3 3 1 1 3
67 Ketone [#6][CX3](=[O])[#6] 150 88 4 6 223
68 Mannich Base [OH1][c][c][#6][N,n][#6] 3 2 1 2 3
69 Nitrile [C,c]-[C,c]#[N,n] 85 20 3 3 93
70 Nitroarene [c][N+](=[O])[O-] 6 2 1 1 7
71 O-Acyl Hydroxamic Acid [*][C](=[O])[N,n][O][C](=[O])[*] 4 4 2 2 5
72 Phosphate [*][O][P]([O])([O])=O 8 29 1 4 32
73 Phosphonate [#6][P]([O])([O])=O 37 26 1 3 43
74 Phosphonohalogenate [C,O][P]([F,Cl,Br,I])([O])=O 9 15 1 1 18
75 Phosphoramidocyanidate [#6][N][P]([O])(=O)[C]#[N] 2 3 1 1 5