93 Warhead(s)
Warhead Name
Warhead SMARTS
Warhead Structure
#Ligands
#Proteins
#Mechanisms
#Residues
#Protein-Ligand Complex(es)
76 Phosphoramidohalogenate [C,O][P]([N])([F,Cl,Br,I])=O 5 2 1 1 7
77 Phosphorothioate [C,O][P]([S])([O])=O 2 3 1 1 11
78 Propargyl Carbonyl [C]#[C]-[C](=[O])[*] 3 2 1 2 3
79 Purine [#7]1:[#6]:[#7]:[#6]2:[#7]:[#6]:[#7]:[#6]:[#6]12 1 1 1 1 2
80 Pyrimidin-2-one [n]1[c](=O)[n][c][c][c]1 1 1 1 1 1
81 Rhodanine O=[#6]-1-[#6]-[#16]-[#6](=S)-[#7]-1 1 1 1 1 1
82 Selenic Acid [#6]-[Se](=O)-[OX2H1,OX1-] 1 1 1 1 1
83 Sulfamate [#6][O][S](=[O])(=[O])[#7] 2 2 1 1 2
84 Sulfonyl Halide [#6][S](=O)(=O)[F,Cl,Br,I] 20 20 1 3 27
85 Thiirane [C;r3][S;r3][C;r3] 2 2 1 1 3
86 Thiocarboxylic Acid [#6]-[CX3](=S)-[OX2H1,OX1-] 1 1 1 1 2
87 Thiol [CX4,c]-[SX2H1,SX1-] 24 22 1 1 30
88 Thioster [#6][CX3](=O)[S][#6] 2 2 1 2 2
89 Thiosulfonate [#6]-[S]-[S]([CX3])(=O)=O 1 1 1 1 2
90 Vinyl Carbonyl [C]=[C]-[CX3](=[O])[*] 235 105 4 5 308
91 Vinyl Halide [F,Cl,Br,I][C]=[C] 1 1 1 1 1
92 Vinyl Nitroalkane [C]=[C]-[N+](=[O])([O-]) 1 1 1 1 2
93 Vinyl Sulfonyl [C]=[C]-[S](=[O])(=[O])[*] 33 16 1 2 38