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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 1 families. | |||||
1 | 1IGB | Ki = 0.4 uM | IPO | C9 H11 I N2 O2 | c1cc(ccc1C.... |
2 | 1TXR | Ki = 18 nM | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
3 | 3VH9 | Ki = 0.58 uM | HQY | C9 H7 N O | c1cc2cccnc.... |
4 | 1CP6 | Ki = 10 uM | BUB | C4 H11 B O2 | B(CCCC)(O).... |
5 | 1FT7 | Ki = 6.6 uM | PLU | C5 H14 N O3 P | CC(C)C[C@H.... |
6 | 3B3C | Ki = 105 uM | PLU | C5 H14 N O3 P | CC(C)C[C@H.... |
7 | 2IQ6 | - | LEU LEU LEU | n/a | n/a |
8 | 3B7I | Ki = 65 uM | 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 1 families. | |||||
1 | 1IGB | Ki = 0.4 uM | IPO | C9 H11 I N2 O2 | c1cc(ccc1C.... |
2 | 1TXR | Ki = 18 nM | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
3 | 3VH9 | Ki = 0.58 uM | HQY | C9 H7 N O | c1cc2cccnc.... |
4 | 1CP6 | Ki = 10 uM | BUB | C4 H11 B O2 | B(CCCC)(O).... |
5 | 1FT7 | Ki = 6.6 uM | PLU | C5 H14 N O3 P | CC(C)C[C@H.... |
6 | 3B3C | Ki = 105 uM | PLU | C5 H14 N O3 P | CC(C)C[C@H.... |
7 | 2IQ6 | - | LEU LEU LEU | n/a | n/a |
8 | 3B7I | Ki = 65 uM | LEU | C6 H13 N O2 | CC(C)C[C@@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LEU LEU LEU | 1 | 1 |
2 | ALA LEU ALA LEU | 0.576923 | 1 |
3 | LEU LYS THR LYS LEU LEU | 0.567164 | 0.711111 |
4 | ALA LEU | 0.533333 | 0.90625 |
5 | LYS LEU LYS | 0.517241 | 0.8 |
6 | GLU ASP LEU | 0.508772 | 0.888889 |
7 | LYS THR LYS LEU LEU | 0.471429 | 0.711111 |
8 | LYS ASN LEU | 0.467742 | 0.744186 |
9 | LEU ALA SER LEU GLU SER GLN SER | 0.434211 | 0.727273 |
10 | GLN LEU ALA | 0.409836 | 0.857143 |
11 | GLY LEU | 0.408163 | 0.756757 |
12 | HIS GLU GLU LEU ALA LYS LEU | 0.4 | 0.8 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 1txr.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |