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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 | 1AFQ | - | 0FG | C22 H28 F N3 O2 | CC(C)C[C@H.... |
2 | 1GHB | - | PRO GLY ALA | n/a | n/a |
3 | 6CHA | Ki = 40 uM | PBA | C8 H11 B O2 | B(CCc1cccc.... |
4 | 2P8O | Ki = 16 uM | BVA | C7 H9 N O5 V | c1ccc(cc1).... |
5 | 1GHA | - | PRO GLY VAL TYR | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1AFQ | - | 0FG | C22 H28 F N3 O2 | CC(C)C[C@H.... |
2 | 1GHB | - | PRO GLY ALA | n/a | n/a |
3 | 6CHA | Ki = 40 uM | PBA | C8 H11 B O2 | B(CCc1cccc.... |
4 | 2P8O | Ki = 16 uM | BVA | C7 H9 N O5 V | c1ccc(cc1).... |
5 | 1GHA | - | PRO GLY VAL TYR | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 0FG | 1 | 1 |
2 | LEU SER PRO ASP SER PHE LEU ASN ASP | 0.45679 | 0.64 |
3 | ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE | 0.424242 | 0.641509 |
4 | PHE LEU | 0.421053 | 0.630435 |
5 | ALA LEU ASP LEU PHE | 0.404762 | 0.612245 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2p8o.bio3) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2p8o.bio2) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1OSS | BEN | 49.4845 |
This union binding pocket(no: 3) in the query (biounit: 2p8o.bio2) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2p8o.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1OSS | BEN | 49.4845 |