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- Structure Biounit | Ligand Information
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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 277 families. | |||||
1 | 5WQK | Kd = 0.5 uM | 7NC | C17 H14 N2 O2 S | CC1=CC(=O).... |
2 | 5WQJ | Kd = 3 uM | 7N3 | C15 H12 N4 O3 S2 | c1ccc2c(c1.... |
3 | 4JGT | - | PYR | C3 H4 O3 | CC(=O)C(=O.... |
4 | 1DP2 | - | LPB | C8 H14 O2 S2 | C1CSS[C@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 5WQK | Kd = 0.5 uM | 7NC | C17 H14 N2 O2 S | CC1=CC(=O).... |
2 | 5WQJ | Kd = 3 uM | 7N3 | C15 H12 N4 O3 S2 | c1ccc2c(c1.... |
3 | 4JGT | - | PYR | C3 H4 O3 | CC(=O)C(=O.... |
4 | 1DP2 | - | LPB | C8 H14 O2 S2 | C1CSS[C@H].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7N3 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | FE DB1 DB1 | 0.8927 |
2 | 4F7 | 0.8807 |
3 | 4GK | 0.8768 |
4 | WGG | 0.8703 |
5 | YH4 | 0.8652 |
This union binding pocket(no: 1) in the query (biounit: 5wqj.bio2) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5wqj.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |