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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 4 families. | |||||
1 | 2JBM | - | SRT | C4 H6 O6 | [C@H]([C@H.... |
2 | 4I9A | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2JBM | - | SRT | C4 H6 O6 | [C@H]([C@H.... |
2 | 3C2R | Kd = 0.78 mM | PHT | C8 H6 O4 | c1ccc(c(c1.... |
3 | 3C2F | Kd = 10.1 mM | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
4 | 3C2O | Kd = 0.45 mM | NTM | C7 H5 N O4 | c1cc(c(nc1.... |
5 | 3C2V | Kd = 0.78 mM | PHT | C8 H6 O4 | c1ccc(c(c1.... |
6 | 4I9A | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NCN | 1 | 1 |
2 | NMN | 0.647887 | 0.892308 |
3 | DND | 0.53 | 0.808219 |
4 | NXX | 0.53 | 0.808219 |
5 | NNR | 0.492958 | 0.742424 |
6 | 8ID | 0.462264 | 0.74359 |
7 | NAJ | 0.432432 | 0.780822 |
8 | NHD | 0.424779 | 0.805556 |
9 | NAD | 0.424779 | 0.805556 |
10 | NFD | 0.417391 | 0.763158 |
11 | A3D | 0.417391 | 0.794521 |
12 | NGD | 0.414414 | 0.74359 |
13 | NBP | 0.413223 | 0.74359 |
14 | AMP NAD | 0.412281 | 0.805556 |
15 | N01 | 0.401709 | 0.780822 |
16 | NDO | 0.4 | 0.794521 |
This union binding pocket(no: 1) in the query (biounit: 4i9a.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4i9a.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4i9a.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4i9a.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 4i9a.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 4i9a.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |