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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 | 243 | 1 | 1 |
2 | T24 | 0.644068 | 0.923077 |
3 | ODD | 0.64 | 0.884615 |
4 | ODT | 0.545455 | 0.769231 |
5 | OLA | 0.519231 | 0.846154 |
6 | NER | 0.519231 | 0.846154 |
7 | VCA | 0.519231 | 0.846154 |
8 | PAM | 0.519231 | 0.846154 |
9 | ELA | 0.519231 | 0.846154 |
10 | RCL | 0.5 | 0.961538 |
11 | MYZ | 0.5 | 0.807692 |
12 | EIC | 0.473684 | 0.884615 |
13 | HNE | 0.45283 | 0.769231 |
14 | DAO | 0.428571 | 0.807692 |
15 | KNA | 0.428571 | 0.807692 |
16 | PLM | 0.428571 | 0.807692 |
17 | 11A | 0.428571 | 0.807692 |
18 | F15 | 0.428571 | 0.807692 |
19 | DCR | 0.428571 | 0.807692 |
20 | DKA | 0.428571 | 0.807692 |
21 | STE | 0.428571 | 0.807692 |
22 | X90 | 0.428571 | 0.807692 |
23 | TDA | 0.428571 | 0.807692 |
24 | EW8 | 0.428571 | 0.807692 |
25 | MYR | 0.428571 | 0.807692 |
26 | F23 | 0.428571 | 0.807692 |
27 | T25 | 0.426471 | 0.78125 |
28 | LNL | 0.409836 | 0.807692 |
29 | OCA | 0.408163 | 0.807692 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 3dsk.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |