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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 2 families. | |||||
1 | 4D4B | - | MSX MAN | n/a | n/a |
2 | 5N0F | Kd = 0.9 uM | 7K2 | C12 H23 N O7 S | C1[C@@H]([.... |
3 | 4D4C | Ki = 386.9 uM | DMJ MAN | n/a | n/a |
4 | 4D4D | Kd = 1.12 uM | IFM MAN | n/a | n/a |
5 | 5AGD | - | BMA MAN MAN MAN MAN | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4D4B | - | MSX MAN | n/a | n/a |
2 | 5N0F | Kd = 0.9 uM | 7K2 | C12 H23 N O7 S | C1[C@@H]([.... |
3 | 4D4C | Ki = 386.9 uM | DMJ MAN | n/a | n/a |
4 | 4D4D | Kd = 1.12 uM | IFM MAN | n/a | n/a |
5 | 5AGD | - | BMA MAN MAN MAN MAN | n/a | n/a |
6 | 5M77 | Kd = 24.7 nM | 7K2 7K3 | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | IFM MAN | 1 | 1 |
2 | NOJ BGC | 0.532258 | 0.893617 |
3 | IFM BGC | 0.516129 | 1 |
4 | EDG AHR | 0.483333 | 0.816327 |
5 | MMA MAN | 0.47541 | 0.680851 |
6 | BGC GLC GLC GLC GLC | 0.444444 | 0.711111 |
7 | BGC GLC GLC GLC GLC GLC | 0.444444 | 0.711111 |
8 | MAN MAN BMA | 0.442857 | 0.717391 |
9 | 7K2 7K3 | 0.43662 | 0.875 |
10 | GLC GLC GLC | 0.424658 | 0.717391 |
11 | GLC IFM | 0.41791 | 0.977273 |
12 | Z9N GLC | 0.41791 | 0.6875 |
13 | RGG | 0.416667 | 0.704545 |
14 | BMA MAN MAN | 0.414286 | 0.711111 |
15 | DEG | 0.409836 | 0.6 |
16 | MMA MAN MAN | 0.402778 | 0.680851 |
17 | MMA | 0.4 | 0.652174 |
18 | AHR AHR | 0.4 | 0.617021 |
19 | MBG | 0.4 | 0.652174 |
20 | AMG | 0.4 | 0.652174 |
21 | GYP | 0.4 | 0.652174 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BMA MAN | 0.9476 |
2 | BGC GLC | 0.9463 |
3 | GLC GLC | 0.9398 |
4 | DMJ MAN | 0.9382 |
5 | GLC GLA | 0.9315 |
6 | MAN MAN | 0.9292 |
7 | GLC BGC | 0.9235 |
8 | 7D1 MAN | 0.9136 |
9 | 7K2 | 0.9106 |
10 | BMA GLA | 0.9053 |
11 | BGC GLA | 0.9048 |
12 | XMM | 0.8877 |
13 | SFF | 0.8832 |
14 | 0B3 | 0.8789 |
15 | SER MAN | 0.8752 |
16 | 0B4 | 0.8558 |
17 | M0N | 0.8547 |
This union binding pocket(no: 1) in the query (biounit: 5n0f.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5n0f.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |