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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 2 families. | |||||
1 | 6NPX | - | M6P | C6 H13 O9 P | C([C@@H]1[.... |
2 | 5KL0 | - | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
3 | 6MLF | Ki = 53 uM | JV4 | C6 H12 F O8 P | C([C@@H]1[.... |
4 | 6NQG | - | GPM | C7 H15 O8 P | C([C@@H]1[.... |
5 | 6NNU | - | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
6 | 6NOL | - | M1P | C6 H13 O9 P | C([C@@H]1[.... |
7 | 6NNN | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
8 | 6NOQ | - | M1P | C6 H13 O9 P | C([C@@H]1[.... |
9 | 6N1E | - | QIF | C7 H15 O9 P | C[C@]1([C@.... |
10 | 6NNO | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
11 | 6NP8 | - | M6P | C6 H13 O9 P | C([C@@H]1[.... |
12 | 6NNS | - | G6P | C6 H13 O9 P | C([C@@H]1[.... |
13 | 6NNP | - | G6P | C6 H13 O9 P | C([C@@H]1[.... |
14 | 6MLH | Ki = 213 uM | GPM | C7 H15 O8 P | C([C@@H]1[.... |
15 | 6MLW | Ki = 184 uM | JVA | C7 H14 F O7 P | C([C@@H]1[.... |
16 | 6NNT | - | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
17 | 6MNV | Ki = 428 uM | JVS | C7 H14 F O9 P | C([C@@H]1[.... |
18 | 5BMP | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2H5A | - | X1P | C5 H11 O8 P | C1[C@H]([C.... |
2 | 2FKM | - | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
3 | 2H4L | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
4 | 1P5D | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
5 | 1P5G | - | G6P | C6 H13 O9 P | C([C@@H]1[.... |
6 | 1PCM | - | M6P | C6 H13 O9 P | C([C@@H]1[.... |
7 | 4MRQ | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
8 | 3BKQ | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
9 | 1K2Y | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
10 | 1PCJ | - | M1P | C6 H13 O9 P | C([C@@H]1[.... |
11 | 2FKF | Kd = 1.2 mM | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
12 | 6NQG | - | GPM | C7 H15 O8 P | C([C@@H]1[.... |
13 | 6NNU | - | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
14 | 6NOL | - | M1P | C6 H13 O9 P | C([C@@H]1[.... |
15 | 6NNN | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
16 | 6NOQ | - | M1P | C6 H13 O9 P | C([C@@H]1[.... |
17 | 6N1E | - | QIF | C7 H15 O9 P | C[C@]1([C@.... |
18 | 6NNO | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
19 | 6NP8 | - | M6P | C6 H13 O9 P | C([C@@H]1[.... |
20 | 6NNS | - | G6P | C6 H13 O9 P | C([C@@H]1[.... |
21 | 6NNP | - | G6P | C6 H13 O9 P | C([C@@H]1[.... |
22 | 6MLH | Ki = 213 uM | GPM | C7 H15 O8 P | C([C@@H]1[.... |
23 | 6MLW | Ki = 184 uM | JVA | C7 H14 F O7 P | C([C@@H]1[.... |
24 | 6NNT | - | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
25 | 6MNV | Ki = 428 uM | JVS | C7 H14 F O9 P | C([C@@H]1[.... |
26 | 5BMP | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
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: 6mlf.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |