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Browse PrenDB
Predict
Concept
PTDBREP00576
Curate
Reaction
PTDBREC00576
Enzyme
PTDBENZ00007
Reference
PTDBDOC00044
Depth 2
Depth
2
Size
4
Atom
0
ID
PTDBDEP02301
Smiles
cc(c)N
Smarts
[#7]-[#6](:[#6]):[#6]
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
cc(c)N.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>cc(c)NCc1ccccc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#7]-[#6](:[#6]):[#6].[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6](-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 3
Depth
3
Size
6
Atom
0
ID
PTDBDEP02302
Smiles
ccc(N)cc
Smarts
[#7]-[#6](:[#6]:[#6]):[#6]:[#6]
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
ccc(N)cc.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>ccc(cc)NCc1ccccc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#7]-[#6](:[#6]:[#6]):[#6]:[#6].[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6]:[#6](-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#6]:[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 4
Depth
4
Size
7
Atom
0
ID
PTDBDEP02303
Smiles
Nc1ccccc1
Smarts
[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
Nc1ccccc1.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>c1ccc(CNc2ccccc2)cc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1.[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]1:[#6]:[#6]:[#6](-[#7]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 5
Depth
5
Size
8
Atom
0
ID
PTDBDEP02304
Smiles
Cc1ccc(N)cc1
Smarts
[#7]-[#6]1:[#6]:[#6]:[#6](-[#6]):[#6]:[#6]:1
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
Cc1ccc(N)cc1.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>Cc1ccc(NCc2ccccc2)cc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#7]-[#6]1:[#6]:[#6]:[#6](-[#6]):[#6]:[#6]:1.[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]1:[#6]:[#6]:[#6](-[#7]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
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