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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 | 2RCH | - | 243 | C18 H32 O3 | CCCCC[C@@H.... |
2 | 3DSJ | - | 243 | C18 H32 O3 | CCCCC[C@@H.... |
3 | 3DSK | - | T25 | C18 H32 O3 | CCCCC[C@H].... |
4 | 2RCL | - | T25 | C18 H32 O3 | CCCCC[C@H].... |
5 | 3DSI | - | T24 | C18 H30 O3 | CCC=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 | 2RCH | - | 243 | C18 H32 O3 | CCCCC[C@@H.... |
2 | 3DSJ | - | 243 | C18 H32 O3 | CCCCC[C@@H.... |
3 | 3DSK | - | T25 | C18 H32 O3 | CCCCC[C@H].... |
4 | 2RCL | - | T25 | C18 H32 O3 | CCCCC[C@H].... |
5 | 3DSI | - | T24 | C18 H30 O3 | CCC=C/C[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | T25 | 1 | 1 |
2 | 10Y | 0.684211 | 0.935484 |
3 | 10X | 0.684211 | 0.935484 |
4 | EOD | 0.611111 | 0.967742 |
5 | VCA | 0.54717 | 0.709677 |
6 | NER | 0.54717 | 0.709677 |
7 | PAM | 0.54717 | 0.709677 |
8 | OLA | 0.54717 | 0.709677 |
9 | ELA | 0.54717 | 0.709677 |
10 | MYZ | 0.528302 | 0.677419 |
11 | EIC | 0.526316 | 0.741935 |
12 | RCL | 0.476923 | 0.75 |
13 | ODD | 0.465517 | 0.741935 |
14 | LNL | 0.459016 | 0.677419 |
15 | 243 | 0.426471 | 0.78125 |
16 | PLM | 0.403846 | 0.677419 |
17 | DAO | 0.403846 | 0.677419 |
18 | KNA | 0.403846 | 0.677419 |
19 | 11A | 0.403846 | 0.677419 |
20 | EW8 | 0.403846 | 0.677419 |
21 | F23 | 0.403846 | 0.677419 |
22 | MYR | 0.403846 | 0.677419 |
23 | TDA | 0.403846 | 0.677419 |
24 | X90 | 0.403846 | 0.677419 |
25 | STE | 0.403846 | 0.677419 |
26 | DKA | 0.403846 | 0.677419 |
27 | F15 | 0.403846 | 0.677419 |
28 | DCR | 0.403846 | 0.677419 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | T24 | 0.9588 |
This union binding pocket(no: 1) in the query (biounit: 3dsk.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |