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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 266 families. | |||||
1 | 4W9H | Kd = 0.185 uM | 3JF | C24 H32 N4 O4 S | Cc1c(scn1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 4W9H | Kd = 0.185 uM | 3JF | C24 H32 N4 O4 S | Cc1c(scn1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3JF | 1 | 1 |
2 | 3JJ | 0.891566 | 0.984375 |
3 | 9BT | 0.855422 | 0.954545 |
4 | 9BW | 0.845238 | 0.969231 |
5 | 9BH | 0.825581 | 0.969231 |
6 | 3JH | 0.820225 | 0.954545 |
7 | 9B8 | 0.806818 | 0.9 |
8 | 4YY | 0.797753 | 0.913043 |
9 | 9BK | 0.791209 | 0.926471 |
10 | 6Z3 | 0.788889 | 0.926471 |
11 | 3JO | 0.760417 | 0.954545 |
12 | 3JU | 0.705882 | 0.984375 |
13 | DV5 | 0.696629 | 0.923077 |
14 | 3JS | 0.670455 | 0.909091 |
15 | EXE | 0.634409 | 0.880597 |
16 | TG0 | 0.614583 | 0.895522 |
17 | GBW | 0.489655 | 0.768293 |
18 | 3JK | 0.47 | 0.907692 |
19 | X6C | 0.443299 | 0.818182 |
20 | 3JG | 0.431373 | 0.892308 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4w9h.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4w9h.bio3) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4w9h.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4w9h.bio4) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |