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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 266 families. | |||||
1 | 5HBN | Kd = 12.9 uM | RPI | C6 H15 N4 O5 P | [H]/N=C(/N.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 5HBN | Kd = 12.9 uM | RPI | C6 H15 N4 O5 P | [H]/N=C(/N.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | RPI | 1 | 1 |
2 | HAR | 0.630435 | 0.711538 |
3 | NMM | 0.630435 | 0.615385 |
4 | 1KJ | 0.58 | 0.685185 |
5 | NRG | 0.568627 | 0.789474 |
6 | PAO | 0.54 | 0.8 |
7 | 2KJ | 0.537037 | 0.672727 |
8 | AS1 | 0.537037 | 0.76 |
9 | CIR | 0.533333 | 0.627451 |
10 | ARG | 0.521739 | 0.64 |
11 | DAR | 0.521739 | 0.64 |
12 | WT2 | 0.52 | 0.62 |
13 | 3KJ | 0.5 | 0.696429 |
14 | HRG | 0.46 | 0.64 |
15 | 2MR | 0.444444 | 0.603774 |
16 | 5OY | 0.425532 | 0.72 |
17 | 2JJ | 0.425532 | 0.72 |
18 | NNH | 0.42 | 0.698113 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PSQ | 0.8974 |
2 | D20 | 0.8934 |
3 | LBY | 0.8890 |
4 | 8CV | 0.8876 |
5 | HPX | 0.8872 |
6 | 3AR | 0.8869 |
7 | U55 | 0.8860 |
8 | LZ4 | 0.8857 |
9 | 3CX | 0.8797 |
10 | HE1 | 0.8762 |
11 | 9OD | 0.8747 |
12 | QTD | 0.8743 |
13 | DTB | 0.8707 |
14 | HPK | 0.8697 |
15 | B15 | 0.8694 |
16 | M29 | 0.8689 |
17 | FQY | 0.8682 |
18 | 2YC | 0.8679 |
19 | QTJ | 0.8675 |
20 | 1GO | 0.8663 |
21 | 1J1 | 0.8661 |
22 | M25 | 0.8659 |
23 | 5D4 | 0.8650 |
24 | 00G | 0.8644 |
25 | Q86 | 0.8637 |
26 | G6Q | 0.8620 |
27 | NFZ | 0.8619 |
28 | L4K | 0.8594 |
29 | KAP | 0.8593 |
30 | ALY | 0.8572 |
31 | S6P | 0.8549 |
32 | SZA | 0.8543 |
33 | PTR | 0.8533 |
34 | 5R8 | 0.8515 |
This union binding pocket(no: 1) in the query (biounit: 5hbn.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5hbn.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |