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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 10 families. | |||||
1 | 5AGI | - | ANZ | C17 H17 B F N5 O8 P | [B@@-]12(c.... |
2 | 5AGJ | - | ANZ | C17 H17 B F N5 O8 P | [B@@-]12(c.... |
3 | 2WFG | ic50 = 38 uM | ZZB | C19 H22 B F N6 O8 P | [B@@-]12(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 5AGI | - | ANZ | C17 H17 B F N5 O8 P | [B@@-]12(c.... |
2 | 5AGJ | - | ANZ | C17 H17 B F N5 O8 P | [B@@-]12(c.... |
3 | 2WFG | ic50 = 38 uM | ZZB | C19 H22 B F N6 O8 P | [B@@-]12(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ZZB | 1 | 1 |
2 | ANZ | 0.711712 | 0.936709 |
3 | WMP | 0.624 | 0.886076 |
4 | A2H | 0.455882 | 0.890244 |
5 | A52 | 0.451852 | 0.864198 |
6 | A3P | 0.438596 | 0.792683 |
7 | A | 0.432432 | 0.792683 |
8 | AMP | 0.432432 | 0.792683 |
9 | 7D5 | 0.431193 | 0.783133 |
10 | AV2 | 0.42623 | 0.795181 |
11 | PAP | 0.416667 | 0.783133 |
12 | LQJ | 0.416667 | 0.817073 |
13 | GGZ | 0.416 | 0.703297 |
14 | 38Y | 0.415493 | 0.939024 |
15 | A2P | 0.413793 | 0.802469 |
16 | D5M | 0.412281 | 0.761905 |
17 | DA | 0.412281 | 0.761905 |
18 | ADP | 0.410256 | 0.77381 |
19 | A2D | 0.408696 | 0.77381 |
20 | PRX | 0.408333 | 0.776471 |
21 | 2A5 | 0.408333 | 0.755814 |
22 | PPS | 0.406504 | 0.706522 |
23 | 7D3 | 0.405172 | 0.764706 |
24 | 8LQ | 0.404762 | 0.747126 |
25 | TM1 | 0.40458 | 0.736264 |
26 | M33 | 0.403361 | 0.764706 |
27 | BA3 | 0.401709 | 0.77381 |
28 | CUU | 0.4 | 0.77381 |
29 | J4G | 0.4 | 0.738636 |
30 | 50T | 0.4 | 0.785714 |
31 | ATP | 0.4 | 0.77381 |
32 | HEJ | 0.4 | 0.77381 |
33 | DAT | 0.4 | 0.744186 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2wfg.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |