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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 101 families. | |||||
1 | 5HX6 | - | 65U | C21 H19 N3 O4 | CN1c2ccccc.... |
2 | 4ITH | ic50 = 0.3169 uM | RCM | C13 H12 Cl N3 O2 | CN1C(=O)[C.... |
3 | 6NYH | Ki = 21 nM | L8D | C23 H24 N6 O3 | CN1c2cnc(c.... |
4 | 4ITJ | ic50 = 0.3772 uM | 1HX | C15 H13 Cl F N3 O | C[C@@H](c1.... |
5 | 6NW2 | Ki = 0.016 uM | L4Y | C19 H22 N4 O3 | C[C@@H]1CC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 70 families. | |||||
1 | 5HX6 | - | 65U | C21 H19 N3 O4 | CN1c2ccccc.... |
2 | 4ITH | ic50 = 0.3169 uM | RCM | C13 H12 Cl N3 O2 | CN1C(=O)[C.... |
3 | 6NYH | Ki = 21 nM | L8D | C23 H24 N6 O3 | CN1c2cnc(c.... |
4 | 4ITJ | ic50 = 0.3772 uM | 1HX | C15 H13 Cl F N3 O | C[C@@H](c1.... |
5 | 6NW2 | Ki = 0.016 uM | L4Y | C19 H22 N4 O3 | C[C@@H]1CC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 1HX | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 4P9 | 0.9005 |
2 | PV8 | 0.8977 |
3 | D09 | 0.8963 |
4 | 51P | 0.8963 |
5 | TQT | 0.8878 |
6 | TCT | 0.8877 |
7 | IPJ | 0.8864 |
8 | PV0 | 0.8836 |
9 | JE7 | 0.8821 |
10 | G50 | 0.8785 |
11 | X8W | 0.8785 |
12 | 4KN | 0.8776 |
13 | KTM | 0.8772 |
14 | SCE | 0.8759 |
15 | 00G | 0.8728 |
16 | IXG | 0.8677 |
17 | SVG | 0.8656 |
18 | WDU | 0.8641 |
19 | MGI | 0.8635 |
20 | BXB | 0.8630 |
21 | 0QX | 0.8624 |
22 | 1OX | 0.8582 |
23 | VXM | 0.8581 |
24 | PV2 | 0.8564 |
25 | CWP | 0.8547 |
26 | F6B | 0.8545 |
27 | XDM | 0.8504 |
This union binding pocket(no: 1) in the query (biounit: 6nw2.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6nw2.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |