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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 3 families. | |||||
1 | 2A2I | Kd = 0.04 uM | A5P | C5 H13 O8 P | C([C@H]([C.... |
2 | 1LRQ | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
3 | 1ZJI | - | R5P | C5 H11 O8 P | C(C(C(C(C=.... |
4 | 1FY6 | - | A5P | C5 H13 O8 P | C([C@H]([C.... |
5 | 3E12 | - | KD0 | C8 H15 O11 P | C([C@H]([C.... |
6 | 1ZHA | Kd = 0.04 uM | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
7 | 2NWS | Kd = 5.44 uM | A5P | C5 H13 O8 P | C([C@H]([C.... |
8 | 1T8X | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
9 | 2NWR | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
10 | 1FXQ | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
11 | 1FWN | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
12 | 1JCY | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
13 | 1LRO | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
14 | 1PCK | - | PEZ | C4 H9 O6 P | CCC(C(=O)O.... |
15 | 3E0I | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
16 | 2NXG | Kd = 17 uM | A5P | C5 H13 O8 P | C([C@H]([C.... |
17 | 2NXI | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
18 | 2NX3 | Kd = 17 uM | A5P | C5 H13 O8 P | C([C@H]([C.... |
19 | 1T96 | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
20 | 2NXH | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
21 | 2EF9 | Kd = 14.18 uM | A5P | C5 H13 O8 P | C([C@H]([C.... |
22 | 1FWT | - | E4P | C4 H9 O7 P | C([C@H]([C.... |
23 | 1PE1 | - | 2PG | C3 H7 O7 P | C([C@H](C(.... |
24 | 2A21 | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
25 | 2NX1 | Kd = 0.02 uM | RP5 | C5 H11 O8 P | C([C@@H]1[.... |
26 | 1JCX | Ki = 7 uM | PAI | C9 H23 N O13 P2 | C([C@H]([C.... |
27 | 1FWW | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
28 | 1FWS | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
29 | 1PCW | - | H4P | C7 H19 N O11 P2 | C([C@H]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1PHW | Ki = 0.5 mM | N | C5 H11 O7 P | C1[C@@H]([.... |
2 | 1G7V | Kd = 0.4 uM | PAI | C9 H23 N O13 P2 | C([C@H]([C.... |
3 | 4Z1D | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
4 | 2A2I | Kd = 0.04 uM | A5P | C5 H13 O8 P | C([C@H]([C.... |
5 | 1LRQ | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
6 | 1ZJI | - | R5P | C5 H11 O8 P | C(C(C(C(C=.... |
7 | 1FY6 | - | A5P | C5 H13 O8 P | C([C@H]([C.... |
8 | 3E12 | - | KD0 | C8 H15 O11 P | C([C@H]([C.... |
9 | 1ZHA | Kd = 0.04 uM | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
10 | 2NWS | Kd = 5.44 uM | A5P | C5 H13 O8 P | C([C@H]([C.... |
11 | 1T8X | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
12 | 2NWR | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
13 | 1FXQ | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
14 | 1FWN | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
15 | 1JCY | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
16 | 1LRO | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
17 | 1PCK | - | PEZ | C4 H9 O6 P | CCC(C(=O)O.... |
18 | 3E0I | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
19 | 2NXG | Kd = 17 uM | A5P | C5 H13 O8 P | C([C@H]([C.... |
20 | 2NXI | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
21 | 2NX3 | Kd = 17 uM | A5P | C5 H13 O8 P | C([C@H]([C.... |
22 | 1T96 | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
23 | 2NXH | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
24 | 2EF9 | Kd = 14.18 uM | A5P | C5 H13 O8 P | C([C@H]([C.... |
25 | 1FWT | - | E4P | C4 H9 O7 P | C([C@H]([C.... |
26 | 1PE1 | - | 2PG | C3 H7 O7 P | C([C@H](C(.... |
27 | 2A21 | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
28 | 2NX1 | Kd = 0.02 uM | RP5 | C5 H11 O8 P | C([C@@H]1[.... |
29 | 1JCX | Ki = 7 uM | PAI | C9 H23 N O13 P2 | C([C@H]([C.... |
30 | 1FWW | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
31 | 1FWS | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
32 | 1PCW | - | H4P | C7 H19 N O11 P2 | C([C@H]([C.... |
33 | 3FYP | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
34 | 3FYO | - | PEP | C3 H5 O6 P | C=C(C(=O)O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | H4P | 1 | 1 |
2 | M2P | 0.605263 | 0.785714 |
3 | GOS | 0.605263 | 0.785714 |
4 | S6P | 0.534884 | 0.785714 |
5 | TX4 | 0.511111 | 0.72 |
6 | G6Q | 0.489362 | 0.744186 |
7 | KD0 | 0.48 | 0.727273 |
8 | 6PG | 0.479167 | 0.727273 |
9 | LG6 | 0.479167 | 0.727273 |
10 | PAN | 0.46 | 0.72549 |
11 | I22 | 0.46 | 0.790698 |
12 | M6R | 0.458333 | 0.844444 |
13 | AGP | 0.458333 | 0.844444 |
14 | R52 | 0.446809 | 0.744186 |
15 | R5P | 0.446809 | 0.744186 |
16 | DX5 | 0.444444 | 0.767442 |
17 | LX1 | 0.444444 | 0.704545 |
18 | A5P | 0.444444 | 0.767442 |
19 | LXP | 0.444444 | 0.767442 |
20 | PA5 | 0.4375 | 0.727273 |
21 | R10 | 0.4375 | 0.727273 |
22 | LRY | 0.436364 | 0.770833 |
23 | PAI | 0.428571 | 0.888889 |
24 | 9C2 | 0.423077 | 0.711538 |
25 | 1NT | 0.421053 | 0.727273 |
26 | F6R | 0.42 | 0.790698 |
27 | TG6 | 0.42 | 0.790698 |
28 | DG6 | 0.416667 | 0.75 |
29 | HMS | 0.408163 | 0.772727 |
30 | 5SP | 0.408163 | 0.772727 |
31 | 5RP | 0.408163 | 0.772727 |
32 | HG3 | 0.404762 | 0.674419 |
33 | P6F | 0.403846 | 0.767442 |
34 | 2FP | 0.403846 | 0.767442 |
35 | P6T | 0.403846 | 0.767442 |
36 | O1B | 0.403509 | 0.769231 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 2) in the query (biounit: 2nx1.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2nx1.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 2nx1.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 2nx1.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |