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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 1 families. | |||||
1 | 1DCN | - | AS1 | C10 H18 N4 O6 | [H]/N=C(/N.... |
2 | 1K7W | - | AS1 | C10 H18 N4 O6 | [H]/N=C(/N.... |
3 | 1TJW | - | AS1 | C10 H18 N4 O6 | [H]/N=C(/N.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1DCN | - | AS1 | C10 H18 N4 O6 | [H]/N=C(/N.... |
2 | 1K7W | - | AS1 | C10 H18 N4 O6 | [H]/N=C(/N.... |
3 | 1TJW | - | AS1 | C10 H18 N4 O6 | [H]/N=C(/N.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AS1 | 1 | 1 |
2 | HAR | 0.591837 | 0.717391 |
3 | NMM | 0.591837 | 0.761905 |
4 | 1KJ | 0.54717 | 0.6875 |
5 | NRG | 0.537037 | 0.672727 |
6 | RPI | 0.537037 | 0.76 |
7 | D20 | 0.535714 | 0.723404 |
8 | ILO | 0.52 | 0.674419 |
9 | 2KJ | 0.508772 | 0.673469 |
10 | VUR | 0.5 | 0.697674 |
11 | 4JK | 0.5 | 0.72093 |
12 | CIR | 0.5 | 0.738095 |
13 | WT2 | 0.490566 | 0.775 |
14 | ARG | 0.489796 | 0.8 |
15 | DAR | 0.489796 | 0.8 |
16 | DA2 | 0.481481 | 0.6875 |
17 | 3KJ | 0.472727 | 0.666667 |
18 | JM2 | 0.464286 | 0.638298 |
19 | LN6 | 0.448276 | 0.630435 |
20 | RGE | 0.448276 | 0.636364 |
21 | 2YH | 0.446429 | 0.636364 |
22 | JM7 | 0.440678 | 0.638298 |
23 | HRG | 0.433962 | 0.8 |
24 | 2YJ | 0.431034 | 0.608696 |
25 | 3AR | 0.428571 | 0.727273 |
26 | PAO | 0.428571 | 0.648148 |
27 | NNH | 0.423077 | 0.702128 |
28 | VIO | 0.421053 | 0.630435 |
29 | 2MR | 0.421053 | 0.744186 |
30 | JM8 | 0.419355 | 0.625 |
31 | JM4 | 0.419355 | 0.612245 |
32 | JM6 | 0.419355 | 0.612245 |
33 | JM5 | 0.412698 | 0.625 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1k7w.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1k7w.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1k7w.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1k7w.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |