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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 277 families. | |||||
1 | 2OGY | Kd = 33.2 uM | C2F | C20 H25 N7 O6 | C[N@@]1[C@.... |
2 | 2E7F | Kd = 0.79 uM | C2F | C20 H25 N7 O6 | C[N@@]1[C@.... |
3 | 2YCJ | - | C2F | C20 H25 N7 O6 | C[N@@]1[C@.... |
4 | 2YCK | - | THG | C19 H23 N7 O6 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 4O1E | - | C2F | C20 H25 N7 O6 | C[N@@]1[C@.... |
2 | 4O1F | - | THG | C19 H23 N7 O6 | c1cc(ccc1C.... |
3 | 2OGY | Kd = 33.2 uM | C2F | C20 H25 N7 O6 | C[N@@]1[C@.... |
4 | 2E7F | Kd = 0.79 uM | C2F | C20 H25 N7 O6 | C[N@@]1[C@.... |
5 | 2YCJ | - | C2F | C20 H25 N7 O6 | C[N@@]1[C@.... |
6 | 2YCK | - | THG | C19 H23 N7 O6 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | C2F | 1 | 1 |
2 | FFO | 0.739583 | 0.957747 |
3 | TLL | 0.635514 | 0.972603 |
4 | 1YJ | 0.623762 | 0.887324 |
5 | THG | 0.623762 | 0.887324 |
6 | THH | 0.571429 | 0.84 |
7 | MEF | 0.555556 | 0.848101 |
8 | FON | 0.550459 | 0.957747 |
9 | THF | 0.509091 | 0.905405 |
10 | 1YA | 0.486726 | 0.929577 |
11 | FGD | 0.476636 | 0.753425 |
12 | 9L9 | 0.460784 | 0.819444 |
13 | 3TZ | 0.456897 | 0.696203 |
14 | DHF | 0.454545 | 0.887324 |
15 | GHC | 0.446429 | 0.658537 |
16 | DZF | 0.446429 | 0.756757 |
17 | 29C | 0.444444 | 0.75 |
18 | 29D | 0.444444 | 0.75 |
19 | 28Z | 0.444444 | 0.75 |
20 | 83A | 0.442478 | 0.74026 |
21 | GUE | 0.435897 | 0.881579 |
22 | GHW | 0.428571 | 0.666667 |
23 | FOL | 0.421053 | 0.77027 |
24 | MHF | 0.420168 | 0.848101 |
25 | LYA | 0.414414 | 0.701299 |
26 | NHS | 0.40708 | 0.712329 |
27 | DDF | 0.405172 | 0.813333 |
28 | 21V | 0.405172 | 0.813333 |
29 | TMF | 0.403361 | 0.833333 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2ycj.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5VOP | C2F | 45.3875 |
2 | 5VOP | C2F | 45.3875 |
This union binding pocket(no: 2) in the query (biounit: 2ycj.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |