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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 4 families. | |||||
1 | 1H7G | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
2 | 1H7T | - | C5P SIA | n/a | n/a |
3 | 1H7F | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
4 | 1H7H | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2Y6P | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
2 | 3K8D | Kd = 1.7 uM | KDO | C8 H14 O8 | C1[C@H]([C.... |
3 | 1H7G | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
4 | 1H7T | - | C5P SIA | n/a | n/a |
5 | 1H7F | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
6 | 1H7H | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | C5P SIA | 1 | 1 |
2 | NCC | 0.728814 | 0.972973 |
3 | CSF | 0.576923 | 0.923077 |
4 | FN5 | 0.534351 | 0.923077 |
5 | CDP MG | 0.5 | 0.917808 |
6 | CDP RB0 | 0.5 | 0.945946 |
7 | C | 0.458716 | 0.88 |
8 | CAR | 0.458716 | 0.88 |
9 | C5P | 0.458716 | 0.88 |
10 | C2G | 0.458333 | 0.932432 |
11 | CDM | 0.451613 | 0.897436 |
12 | CDP | 0.447368 | 0.893333 |
13 | SIA CMO | 0.444444 | 0.605263 |
14 | CDC | 0.432 | 0.809524 |
15 | FZQ | 0.42623 | 0.781609 |
16 | GAL SIA | 0.425 | 0.662162 |
17 | HF4 | 0.423729 | 0.893333 |
18 | CTP | 0.423729 | 0.893333 |
19 | 7XL | 0.421488 | 0.92 |
20 | 2TM | 0.416667 | 0.883117 |
21 | C5G | 0.414062 | 0.945946 |
22 | CXY | 0.410853 | 0.945946 |
23 | 0RC | 0.409836 | 0.896104 |
24 | SIA SIA | 0.406504 | 0.666667 |
25 | 2FG SIA | 0.404762 | 0.649351 |
26 | BGC GAL SIA | 0.404412 | 0.675676 |
27 | PMT | 0.404255 | 0.853659 |
28 | SLB SIA SIA SIA SIA | 0.403226 | 0.666667 |
29 | SIA SIA SIA SIA SIA SIA SIA | 0.403226 | 0.666667 |
30 | SLB SIA SIA | 0.403226 | 0.666667 |
31 | SLB SIA SIA SIA | 0.403226 | 0.666667 |
32 | HQ5 | 0.401575 | 0.744444 |
33 | G G 6MZ C | 0.4 | 0.864198 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1h7f.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |