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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 67 families. | |||||
1 | 1OD9 | - | BND | C19 H26 N2 O9 | CC(=O)N[C@.... |
2 | 2BVE | ic50 = 215 uM | PH5 | C19 H27 N O9 | CCC(=O)N[C.... |
3 | 1URL | - | ALA GLY HIS THR TRP GLY HIA SIA | n/a | n/a |
4 | 1QFO | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 45 families. | |||||
1 | 1OD9 | - | BND | C19 H26 N2 O9 | CC(=O)N[C@.... |
2 | 2BVE | ic50 = 215 uM | PH5 | C19 H27 N O9 | CCC(=O)N[C.... |
3 | 1URL | - | ALA GLY HIS THR TRP GLY HIA SIA | n/a | n/a |
4 | 1QFO | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PH5 | 1 | 1 |
2 | MN0 | 0.53012 | 0.851852 |
3 | 18D | 0.52439 | 0.865385 |
4 | MNA | 0.493976 | 0.818182 |
5 | 423 | 0.471698 | 0.662338 |
6 | SIA CMO | 0.453488 | 0.803571 |
7 | BND | 0.44898 | 0.807018 |
8 | 425 | 0.423423 | 0.662338 |
9 | MUS | 0.420561 | 0.766667 |
10 | NGC | 0.413793 | 0.846154 |
11 | NGE | 0.413793 | 0.846154 |
12 | GAL SIA | 0.4 | 0.888889 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2bve.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2bve.bio2) has 8 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |