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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- 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 | 1XQX | - | PCS | C10 H12 Cl N O | c1ccc(cc1).... |
2 | 1XQW | - | PHE LEU | n/a | n/a |
3 | 1XRP | - | PRO LEU GLY GLY | n/a | n/a |
4 | 1XRR | - | PRO | C5 H9 N O2 | C1C[C@H](N.... |
5 | 1XRO | - | LEU | C6 H13 N O2 | CC(C)C[C@@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1XQX | - | PCS | C10 H12 Cl N O | c1ccc(cc1).... |
2 | 1XQW | - | PHE LEU | n/a | n/a |
3 | 1XRP | - | PRO LEU GLY GLY | n/a | n/a |
4 | 1XRR | - | PRO | C5 H9 N O2 | C1C[C@H](N.... |
5 | 1XRO | - | LEU | C6 H13 N O2 | CC(C)C[C@@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PHE LEU | 1 | 1 |
2 | PHE ALA | 0.648148 | 0.909091 |
3 | ALA LEU ASP LEU PHE | 0.552239 | 0.891892 |
4 | ALA PHE | 0.54386 | 0.878788 |
5 | ACE LEU PHE | 0.52381 | 0.888889 |
6 | ASP PHE | 0.508197 | 0.805556 |
7 | BES | 0.484848 | 0.756098 |
8 | ALA LEU | 0.480769 | 0.878788 |
9 | NFA | 0.470588 | 0.69697 |
10 | TYR GLN GLU SER THR ASP PHE THR PHE LEU | 0.452381 | 0.75 |
11 | LEU SER PRO ASP SER PHE LEU ASN ASP | 0.444444 | 0.738095 |
12 | PHE | 0.425926 | 0.617647 |
13 | DPN | 0.425926 | 0.617647 |
14 | ACE SER LEU ASN PHE | 0.425 | 0.717391 |
15 | GLU THR LEU GLU ASP SER VAL PHE | 0.423077 | 0.727273 |
16 | 0FG | 0.421053 | 0.630435 |
17 | PHE ALA GLN | 0.410959 | 0.810811 |
18 | SER SER ARG THR ARG ARG GLU GLU GLN LEU | 0.405797 | 0.769231 |
19 | TYR GLY GLY PHE LEU | 0.404494 | 0.673469 |
20 | GLY ALA PHE THR PHE ASN GLU ASP PHE | 0.4 | 0.625 |
21 | ACE LEU PHE PHE GLK CF0 GLU | 0.4 | 0.727273 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | KKA | 0.8590 |
This union binding pocket(no: 1) in the query (biounit: 1xro.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |