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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 1 families. | |||||
1 | 3UN3 | Kd = 0.23 uM | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
2 | 4LR8 | - | HSX | C5 H11 O8 P | C([C@@H]1[.... |
3 | 4LRF | - | HSX | C5 H11 O8 P | C([C@@H]1[.... |
4 | 4LR9 | - | 1X4 | C5 H11 O6 P | C1C[C@H](O.... |
5 | 3M8Z | - | HSX | C5 H11 O8 P | C([C@@H]1[.... |
6 | 3OT9 | - | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
7 | 3UO0 | Kd = 0.47 uM | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
8 | 4LRE | - | 1X4 | C5 H11 O6 P | C1C[C@H](O.... |
9 | 4LRB | - | 1X4 | C5 H11 O6 P | C1C[C@H](O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3UN3 | Kd = 0.23 uM | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
2 | 4LR8 | - | HSX | C5 H11 O8 P | C([C@@H]1[.... |
3 | 4LRF | - | HSX | C5 H11 O8 P | C([C@@H]1[.... |
4 | 4LR9 | - | 1X4 | C5 H11 O6 P | C1C[C@H](O.... |
5 | 3M8Z | - | HSX | C5 H11 O8 P | C([C@@H]1[.... |
6 | 3OT9 | - | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
7 | 3UO0 | Kd = 0.47 uM | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
8 | 4LRE | - | 1X4 | C5 H11 O6 P | C1C[C@H](O.... |
9 | 4LRB | - | 1X4 | C5 H11 O6 P | C1C[C@H](O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | G16 | 1 | 1 |
2 | RI2 | 0.666667 | 0.860465 |
3 | PRP | 0.588235 | 0.883721 |
4 | PPC | 0.588235 | 0.826087 |
5 | AHG | 0.534884 | 0.8 |
6 | RP5 | 0.5 | 0.860465 |
7 | M1P | 0.5 | 0.928571 |
8 | G1P | 0.5 | 0.928571 |
9 | HSX | 0.5 | 0.860465 |
10 | BG6 | 0.5 | 0.951219 |
11 | M6D | 0.5 | 0.951219 |
12 | XGP | 0.5 | 0.928571 |
13 | A6P | 0.5 | 0.951219 |
14 | GL1 | 0.5 | 0.928571 |
15 | G6P | 0.5 | 0.951219 |
16 | ABF | 0.5 | 0.860465 |
17 | M6P | 0.5 | 0.951219 |
18 | BGP | 0.5 | 0.951219 |
19 | GLC G6P | 0.490909 | 0.844444 |
20 | GRF | 0.479167 | 0.666667 |
21 | JV4 | 0.46 | 0.883721 |
22 | MGF G6P | 0.454545 | 0.791667 |
23 | FDQ | 0.45098 | 0.782609 |
24 | RF5 | 0.44 | 0.765957 |
25 | 50A | 0.44 | 0.765957 |
26 | R1P | 0.4375 | 0.840909 |
27 | GLP | 0.433962 | 0.795918 |
28 | 4R1 | 0.433962 | 0.795918 |
29 | D6G | 0.415094 | 0.906977 |
30 | 16G | 0.413793 | 0.754717 |
31 | BMX | 0.413793 | 0.754717 |
32 | 4QY | 0.413793 | 0.754717 |
33 | MAN MAN M6P | 0.405797 | 0.844444 |
34 | BGC XGP | 0.403226 | 0.844444 |
35 | MAN IPD MAN | 0.4 | 0.844444 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BG6 MGF | 0.9834 |
2 | G6P MGF | 0.9809 |
3 | IR8 | 0.9113 |
4 | FBP | 0.9071 |
5 | 34L | 0.8838 |
6 | 74Z | 0.8793 |
7 | 1CE | 0.8787 |
8 | U5A | 0.8772 |
9 | JYM | 0.8767 |
10 | GT1 | 0.8767 |
11 | IR9 | 0.8735 |
12 | GMB | 0.8720 |
13 | C1F | 0.8701 |
14 | 0H5 | 0.8687 |
15 | 26K | 0.8673 |
16 | GAR | 0.8665 |
17 | 695 | 0.8634 |
18 | PDA | 0.8634 |
19 | 0JO | 0.8634 |
20 | PLI | 0.8634 |
21 | GPM | 0.8625 |
22 | P1T | 0.8621 |
23 | C09 | 0.8579 |
24 | ML2 | 0.8537 |
25 | AIR | 0.8530 |
26 | WFY | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 3un3.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3un3.bio3) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |