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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 11 families. | |||||
1 | 5VJD | - | 13P | C3 H7 O6 P | C(C(=O)COP.... |
2 | 5VJE | Ki = 60 uM | GOS | C6 H16 O12 P2 | C([C@H]([C.... |
3 | 1B57 | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 5VJD | - | 13P | C3 H7 O6 P | C(C(=O)COP.... |
2 | 5VJE | Ki = 60 uM | GOS | C6 H16 O12 P2 | C([C@H]([C.... |
3 | 1B57 | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
4 | 3EKL | - | 13P | C3 H7 O6 P | C(C(=O)COP.... |
5 | 3EKZ | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
6 | 4LV4 | Kd = 9.39 uM | 8HC | C10 H7 N O3 | c1cc2ccc(n.... |
7 | 4A22 | Kd = 6.8 nM | TD4 | C6 H15 N O10 P2 | C(CCOP(=O).... |
8 | 4DEL | Kd = 21.1 nM | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
9 | 3ELF | - | 2FP | C6 H14 O12 P2 | C([C@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | M2P | 1 | 1 |
2 | GOS | 1 | 1 |
3 | S6P | 0.821429 | 0.941176 |
4 | LX1 | 0.666667 | 0.885714 |
5 | LXP | 0.666667 | 0.914286 |
6 | M6R | 0.666667 | 0.761905 |
7 | DX5 | 0.666667 | 0.914286 |
8 | AGP | 0.666667 | 0.761905 |
9 | A5P | 0.666667 | 0.914286 |
10 | G6Q | 0.666667 | 0.941176 |
11 | LG6 | 0.647059 | 0.914286 |
12 | 6PG | 0.647059 | 0.914286 |
13 | KD0 | 0.638889 | 0.914286 |
14 | HG3 | 0.62963 | 0.852941 |
15 | I22 | 0.611111 | 0.942857 |
16 | R5P | 0.606061 | 0.941176 |
17 | DG6 | 0.606061 | 0.888889 |
18 | R52 | 0.606061 | 0.941176 |
19 | TX4 | 0.606061 | 0.673913 |
20 | H4P | 0.605263 | 0.785714 |
21 | PA5 | 0.588235 | 0.914286 |
22 | R10 | 0.588235 | 0.914286 |
23 | F6R | 0.555556 | 0.942857 |
24 | TG6 | 0.555556 | 0.942857 |
25 | PAI | 0.547619 | 0.767442 |
26 | FQ8 | 0.540541 | 0.942857 |
27 | 1NT | 0.534884 | 0.914286 |
28 | E4P | 0.53125 | 0.882353 |
29 | P6T | 0.526316 | 0.970588 |
30 | 2FP | 0.526316 | 0.970588 |
31 | PAN | 0.526316 | 0.680851 |
32 | P6F | 0.526316 | 0.970588 |
33 | LRY | 0.52381 | 0.727273 |
34 | 9C2 | 0.512821 | 0.666667 |
35 | DEZ | 0.5 | 0.914286 |
36 | 5RP | 0.5 | 0.916667 |
37 | G3P | 0.5 | 0.882353 |
38 | 1GP | 0.5 | 0.882353 |
39 | DER | 0.5 | 0.914286 |
40 | 5SP | 0.5 | 0.916667 |
41 | HMS | 0.5 | 0.916667 |
42 | 52L | 0.487805 | 0.695652 |
43 | DXP | 0.485714 | 0.833333 |
44 | 4TP | 0.472222 | 0.761905 |
45 | XBP | 0.447368 | 0.914286 |
46 | RES | 0.447368 | 0.680851 |
47 | RUB | 0.447368 | 0.914286 |
48 | O1B | 0.444444 | 0.66 |
49 | XDP | 0.435897 | 0.942857 |
50 | 3PG | 0.424242 | 0.857143 |
51 | G3H | 0.424242 | 0.852941 |
52 | PSE | 0.424242 | 0.658537 |
This union binding pocket(no: 1) in the query (biounit: 5vje.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1GVF | PGH | 49.3007 |
2 | 1GVF | PGH | 49.3007 |
This union binding pocket(no: 2) in the query (biounit: 5vje.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1GVF | PGH | 49.3007 |
2 | 1GVF | PGH | 49.3007 |