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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 2 families. | |||||
1 | 5Q0F | Ki = 0.13 nM | 9FA | C29 H28 Cl N9 O4 | C[C@@H]1CC.... |
2 | 5QTX | Ki = 0.22 nM | QLD | C30 H32 Cl N9 O5 | CCOC(=O)[C.... |
3 | 5QQO | Ki = 17 nM | NRJ | C28 H28 Cl N5 O5 | COC(=O)Nc1.... |
4 | 4TY6 | Ki = 30 nM | 39D | C26 H31 N5 O2 | c1ccc(cc1).... |
5 | 4X6N | Ki = 1.5 nM | 3Y5 | C27 H23 Cl2 N11 O | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 5Q0F | Ki = 0.13 nM | 9FA | C29 H28 Cl N9 O4 | C[C@@H]1CC.... |
2 | 5QTX | Ki = 0.22 nM | QLD | C30 H32 Cl N9 O5 | CCOC(=O)[C.... |
3 | 5QQO | Ki = 17 nM | NRJ | C28 H28 Cl N5 O5 | COC(=O)Nc1.... |
4 | 4TY6 | Ki = 30 nM | 39D | C26 H31 N5 O2 | c1ccc(cc1).... |
5 | 4X6N | Ki = 1.5 nM | 3Y5 | C27 H23 Cl2 N11 O | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 9FA | 1 | 1 |
2 | 7DS | 0.801527 | 0.931507 |
3 | 9FD | 0.757353 | 0.934211 |
4 | 9EY | 0.722628 | 0.893333 |
5 | 7DK | 0.71223 | 0.906667 |
6 | 9ZM | 0.680272 | 0.918919 |
7 | QLD | 0.606667 | 0.8375 |
8 | QLM | 0.516129 | 0.881579 |
9 | QLS | 0.490446 | 0.844156 |
10 | 7DL | 0.487179 | 0.866667 |
11 | QLJ | 0.472727 | 0.802469 |
12 | 9F1 | 0.472603 | 0.875 |