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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 9 families. | |||||
1 | 1IIH | Ki = 1.3 mM | 3PG | C3 H7 O7 P | C([C@H](C(.... |
2 | 2X1T | - | RES | C4 H10 N O8 P | C([C@H]([C.... |
3 | 5I3K | Ki = 12 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
4 | 2VEL | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
5 | 5I3I | Ki = 2.6 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
6 | 2V2C | Ki = 0.39 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
7 | 2VEN | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
8 | 5I3H | Ki = 120 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
9 | 2X1S | - | X1S | C3 H6 O5 S | C(CS(=O)(=.... |
10 | 1KV5 | Ki = 60 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
11 | 4TIM | Ki = 6.9 mM | 2PG | C3 H7 O7 P | C([C@H](C(.... |
12 | 1TTJ | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
13 | 6TIM | Ki = 0.61 mM | G3P | C3 H9 O6 P | C([C@H](CO.... |
14 | 1TRD | Ki = 4 uM | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
15 | 2VEK | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
16 | 2V2H | Ki = 0.17 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
17 | 2J27 | Ki = 0.3 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
18 | 4PC8 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
19 | 2X1R | - | X1R | C6 H12 O4 S | CCCS(=O)(=.... |
20 | 2X2G | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
21 | 1TTI | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
22 | 1SUX | - | BTS | C10 H11 N O3 S3 | c1ccc2c(c1.... |
23 | 2VXN | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
24 | 2Y62 | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
25 | 1AMK | Ki = 0.05 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
26 | 2Y61 | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
27 | 1QDS | Ki = 0.048 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
28 | 1N55 | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
29 | 1IF2 | - | 129 | C3 H8 N O5 P | C(CP(=O)(O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1IIH | Ki = 1.3 mM | 3PG | C3 H7 O7 P | C([C@H](C(.... |
2 | 2X1T | - | RES | C4 H10 N O8 P | C([C@H]([C.... |
3 | 5I3K | Ki = 12 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
4 | 2VEL | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
5 | 5I3I | Ki = 2.6 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
6 | 2V2C | Ki = 0.39 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
7 | 2VEN | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
8 | 5I3H | Ki = 120 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
9 | 2X1S | - | X1S | C3 H6 O5 S | C(CS(=O)(=.... |
10 | 1KV5 | Ki = 60 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
11 | 4TIM | Ki = 6.9 mM | 2PG | C3 H7 O7 P | C([C@H](C(.... |
12 | 1TTJ | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
13 | 6TIM | Ki = 0.61 mM | G3P | C3 H9 O6 P | C([C@H](CO.... |
14 | 1TRD | Ki = 4 uM | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
15 | 2VEK | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
16 | 2V2H | Ki = 0.17 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
17 | 2J27 | Ki = 0.3 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
18 | 4PC8 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
19 | 2X1R | - | X1R | C6 H12 O4 S | CCCS(=O)(=.... |
20 | 2X2G | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
21 | 1TTI | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
22 | 6UP5 | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
23 | 6UPF | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
24 | 1NF0 | - | 13P | C3 H7 O6 P | C(C(=O)COP.... |
25 | 7TIM | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
26 | 2YPI | Ki = 15 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
27 | 1NEY | - | 13P | C3 H7 O6 P | C(C(=O)COP.... |
28 | 2BTM | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
29 | 5EYW | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
30 | 6NEE | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
31 | 4YMZ | - | 13P | C3 H7 O6 P | C(C(=O)COP.... |
32 | 3UWV | - | 2PG | C3 H7 O7 P | C([C@H](C(.... |
33 | 3UWW | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
34 | 3UWZ | - | G2H | C3 H9 O6 P | C(C(CO)OP(.... |
35 | 3M9Y | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
36 | 3UWU | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
37 | 1LYX | Ki = 0.029 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
38 | 1O5X | - | 3PY | C3 H4 O4 | C(C(=O)C(=.... |
39 | 2VFH | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
40 | 1M7O | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
41 | 2VFE | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
42 | 2VFI | Ki = 1.9 mM | 3PG | C3 H7 O7 P | C([C@H](C(.... |
43 | 1M7P | - | G3H | C3 H7 O6 P | C([C@H](C=.... |
44 | 3PVF | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
45 | 2VFG | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
46 | 3TAO | Kd = 7.28 uM | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
47 | 1SUX | - | BTS | C10 H11 N O3 S3 | c1ccc2c(c1.... |
48 | 1TPW | Ki = 0.5 mM | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
49 | 1SW3 | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
50 | 1TPB | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
51 | 1SW0 | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
52 | 1TPH | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
53 | 1TPU | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
54 | 1TPV | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
55 | 1SW7 | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
56 | 1TPC | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
57 | 2VXN | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
58 | 2Y62 | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
59 | 1AMK | Ki = 0.05 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
60 | 2Y61 | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
61 | 1QDS | Ki = 0.048 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
62 | 1N55 | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
63 | 1IF2 | - | 129 | C3 H8 N O5 P | C(CP(=O)(O.... |
64 | 6OOI | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
65 | 6BVE | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
66 | 4BI6 | Kd = 113.3 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
67 | 4BI7 | Kd = 26.4 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
68 | 6OOG | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BTS | 1 | 1 |
This union binding pocket(no: 1) in the query (biounit: 1sux.bio1) has 3 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |