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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 1312 families. | |||||
1 | 5I8T | - | LAC | C3 H6 O3 | C[C@H](C(=.... |
2 | 5I91 | - | KMT | C5 H8 O3 S | CSCCC(=O)C.... |
3 | 5I8S | - | LEA | C5 H10 O2 | CCCCC(=O)O |
4 | 5I8Y | - | KMT | C5 H8 O3 S | CSCCC(=O)C.... |
5 | 5I93 | - | 69O | C5 H8 O3 | CCCC(=O)C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1130 families. | |||||
1 | 5I8T | - | LAC | C3 H6 O3 | C[C@H](C(=.... |
2 | 5I91 | - | KMT | C5 H8 O3 S | CSCCC(=O)C.... |
3 | 5I8S | - | LEA | C5 H10 O2 | CCCCC(=O)O |
4 | 5I8Y | - | KMT | C5 H8 O3 S | CSCCC(=O)C.... |
5 | 5I93 | - | 69O | C5 H8 O3 | CCCC(=O)C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LAC | 1 | 1 |
2 | 2OP | 1 | 1 |
3 | HBR | 0.6 | 0.615385 |
4 | HBS | 0.6 | 0.615385 |
5 | TLA | 0.5 | 0.611111 |
6 | TAR | 0.5 | 0.611111 |
7 | 2RH | 0.5 | 0.631579 |
8 | SRT | 0.5 | 0.611111 |
9 | IPM | 0.47619 | 0.631579 |
10 | KIV | 0.444444 | 0.625 |
11 | LFC | 0.434783 | 0.8 |
12 | QFH | 0.428571 | 0.631579 |
13 | WTZ | 0.428571 | 0.631579 |
14 | 23B | 0.428571 | 0.631579 |
15 | GAE | 0.421053 | 0.611111 |
16 | RAT | 0.421053 | 0.611111 |
17 | LGT | 0.421053 | 0.611111 |
18 | 3LR | 0.4 | 0.6 |
This union binding pocket(no: 1) in the query (biounit: 5i8t.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |