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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 1331 families. | |||||
1 | 6GMR | - | F4K | C11 H11 N O | c1ccn(c1)c.... |
2 | 4B9K | Ki = 0.67 uM | TG0 | C24 H26 N4 O3 S | Cc1c(cccc1.... |
3 | 4BKS | Kd = 150 uM | X6C | C17 H19 N3 O4 | CC(=O)N1C[.... |
4 | 6HR2 | - | FWZ | C49 H58 F N9 O6 S | Cc1c(scn1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6GMR | - | F4K | C11 H11 N O | c1ccn(c1)c.... |
2 | 4B9K | Ki = 0.67 uM | TG0 | C24 H26 N4 O3 S | Cc1c(cccc1.... |
3 | 4BKS | Kd = 150 uM | X6C | C17 H19 N3 O4 | CC(=O)N1C[.... |
4 | 6HR2 | - | FWZ | C49 H58 F N9 O6 S | Cc1c(scn1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TG0 | 1 | 1 |
2 | 3JU | 0.648352 | 0.882353 |
3 | 3JS | 0.617021 | 0.895522 |
4 | 3JF | 0.614583 | 0.895522 |
5 | DV5 | 0.608247 | 0.909091 |
6 | 9BT | 0.59 | 0.857143 |
7 | 9BH | 0.588235 | 0.869565 |
8 | 9BW | 0.584158 | 0.869565 |
9 | 9B8 | 0.576923 | 0.810811 |
10 | 3JJ | 0.572816 | 0.882353 |
11 | 4YY | 0.556604 | 0.821918 |
12 | 6Z3 | 0.551402 | 0.833333 |
13 | 3JH | 0.546296 | 0.857143 |
14 | 9BK | 0.541284 | 0.859155 |
15 | 3JO | 0.526316 | 0.884058 |
16 | 3JK | 0.433962 | 0.811594 |
17 | EXE | 0.427273 | 0.788732 |
18 | X6C | 0.407767 | 0.80597 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 3JG | 0.8823 |
This union binding pocket(no: 1) in the query (biounit: 4b9k.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4b9k.bio2) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4b9k.bio4) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4b9k.bio3) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |