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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 266 families. | |||||
1 | 1WKW | - | GTA | C21 H30 N10 O17 P3 | C[n+]1cn(c.... |
2 | 1EJ4 | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
3 | 2V8W | Kd = 146 nM | MGO | C12 H20 N4 O14 P3 | C[n+]1cn(c.... |
4 | 2V8Y | Kd = 1.96 uM | MGV | C17 H20 F N5 O8 P | c1cc(ccc1C.... |
5 | 2V8X | Kd = 6.95 uM | MGQ | C17 H21 N5 O8 P | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 1WKW | - | GTA | C21 H30 N10 O17 P3 | C[n+]1cn(c.... |
2 | 3HXG | Kd = 0.27 uM | GTA | C21 H30 N10 O17 P3 | C[n+]1cn(c.... |
3 | 1EJ4 | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
4 | 2V8W | Kd = 146 nM | MGO | C12 H20 N4 O14 P3 | C[n+]1cn(c.... |
5 | 2V8Y | Kd = 1.96 uM | MGV | C17 H20 F N5 O8 P | c1cc(ccc1C.... |
6 | 2V8X | Kd = 6.95 uM | MGQ | C17 H21 N5 O8 P | c1ccc(cc1).... |
7 | 3M94 | - | M7M | C13 H23 N5 O11 P2 | CN1CN(C2=C.... |
8 | 2JGB | Ka = 410000 M^-1 | MGT | C11 H20 N5 O14 P3 | CN1CN(C2=C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MGV | 1 | 1 |
2 | MGQ | 0.808989 | 0.950617 |
3 | G7M | 0.608696 | 0.891566 |
4 | 5O8 | 0.567308 | 0.8 |
5 | MGP | 0.5 | 0.880952 |
6 | 5NX | 0.495652 | 0.818182 |
7 | 6G0 | 0.495238 | 0.880952 |
8 | 5GP | 0.49 | 0.901235 |
9 | G | 0.49 | 0.901235 |
10 | QBQ | 0.435185 | 0.878049 |
11 | GTA | 0.429752 | 0.904762 |
12 | GTG | 0.428571 | 0.904762 |
13 | MG7 | 0.427083 | 0.776471 |
14 | GDP | 0.412844 | 0.890244 |
15 | GDP 7MG | 0.409836 | 0.903614 |
16 | GP3 | 0.40367 | 0.914634 |
17 | GTP | 0.401786 | 0.890244 |
18 | GP2 | 0.4 | 0.858824 |
19 | AIR | 0.4 | 0.802469 |
20 | GAV | 0.4 | 0.858824 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 2v8w.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2v8w.bio2) has 14 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |