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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 3V1X | - | 0FV | C10 H19 F O7 P2 | CC(=CCC/C(.... |
2 | 4LA6 | - | LA6 | C10 H19 F O7 P2 | CC(=CCC/C(.... |
3 | 3V1V | - | GST | C10 H20 O6 P2 S | CC(=CCCC(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 3V1X | - | 0FV | C10 H19 F O7 P2 | CC(=CCC/C(.... |
2 | 4LA6 | - | LA6 | C10 H19 F O7 P2 | CC(=CCC/C(.... |
3 | 3V1V | - | GST | C10 H20 O6 P2 S | CC(=CCCC(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GST | 1 | 1 |
2 | FPS | 0.911111 | 0.975 |
3 | GGS | 0.911111 | 0.975 |
4 | AG8 | 0.631579 | 0.795918 |
5 | DST | 0.613636 | 0.871795 |
6 | GPP | 0.518519 | 0.878049 |
7 | HZZ | 0.5 | 0.804878 |
8 | GRG | 0.482759 | 0.857143 |
9 | FPP | 0.482759 | 0.857143 |
10 | OTP | 0.482759 | 0.837209 |
11 | ZTP | 0.482759 | 0.837209 |
12 | VTP | 0.482759 | 0.837209 |
13 | 0K3 | 0.471698 | 0.767442 |
14 | DSL | 0.471698 | 0.767442 |
15 | FJP | 0.471698 | 0.785714 |
16 | FFF | 0.4375 | 0.8 |
17 | 749 | 0.433962 | 0.85 |
18 | 2CF | 0.415385 | 0.8 |
19 | FPF | 0.415385 | 0.8 |
20 | FGG | 0.409091 | 0.8 |
21 | FHP | 0.403509 | 0.681818 |
22 | 3E9 | 0.402985 | 0.818182 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 0FV | 0.9384 |
This union binding pocket(no: 1) in the query (biounit: 3v1v.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3v1v.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |