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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 17 families. | |||||
1 | 3A9B | - | BGC BGC | n/a | n/a |
2 | 3ABX | - | RCB | C24 H35 N O18 | c1cc(ccc1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 11 families. | |||||
1 | 3A9B | - | BGC BGC | n/a | n/a |
2 | 3ABX | - | RCB | C24 H35 N O18 | c1cc(ccc1[.... |
3 | 4AU0 | - | BGC XZZ BGC | n/a | n/a |
4 | 1HGY | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
5 | 1QK2 | - | MGL SGC GLC GLC | n/a | n/a |
6 | 4AX7 | - | BGC 4MU BGC | n/a | n/a |
7 | 1QK0 | - | XYP IOB BGC | n/a | n/a |
8 | 4AX6 | - | BGC UWU BGC | n/a | n/a |
9 | 1QJW | - | MGL SGC GLC GLC | n/a | n/a |
10 | 3VOI | - | RCB | C24 H35 N O18 | c1cc(ccc1[.... |
11 | 3VOH | - | BGC BGC | n/a | n/a |
12 | 1OCB | - | GTM BGC BGC | n/a | n/a |
13 | 2BVW | - | BGC BGC BGC BGC | n/a | n/a |
14 | 1OCJ | - | MA3 SGC SSG SSG BGC | n/a | n/a |
15 | 1OC5 | - | MGL SGC BGC BGC | n/a | n/a |
16 | 1GZ1 | - | MGL SGC BGC BGC | n/a | n/a |
17 | 1OC7 | - | MA3 | C7 H14 O5 S | CO[C@@H]1[.... |
18 | 1OCN | - | IFM BGC | n/a | n/a |
19 | 5XCZ | - | GLC BGC | n/a | n/a |
20 | 4A05 | - | BGC BGC | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | RCB | 1 | 1 |
2 | NPJ | 0.967742 | 1 |
3 | PNW | 0.703125 | 0.962264 |
4 | MBE | 0.703125 | 0.962264 |
5 | 147 | 0.703125 | 0.962264 |
6 | GLA NPO | 0.703125 | 0.962264 |
7 | NBZ GLA | 0.703125 | 0.962264 |
8 | PNA | 0.703125 | 0.962264 |
9 | PNG | 0.703125 | 0.962264 |
10 | KHP | 0.65625 | 0.890909 |
11 | A2G NPO GAL | 0.585366 | 0.84127 |
12 | NGB | 0.584416 | 1 |
13 | MBF NIN BMA BMA | 0.563218 | 0.854839 |
14 | BGC GLA GAL | 0.553846 | 0.622642 |
15 | BGC 4MU BGC BGC BGC | 0.552941 | 0.6 |
16 | BGC 4MU BGC | 0.541176 | 0.6 |
17 | NSQ | 0.540541 | 0.710145 |
18 | BDP NPO NDG BDP NDG | 0.535354 | 0.828125 |
19 | PNJ | 0.534247 | 0.87931 |
20 | MAN BMA BMA BMA BMA BMA BMA | 0.514286 | 0.622642 |
21 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.514286 | 0.622642 |
22 | GLC GLC GLC GLC BGC GLC GLC | 0.514286 | 0.622642 |
23 | 6Y2 | 0.511364 | 0.828125 |
24 | BDP NPO GNS BDP | 0.51 | 0.702703 |
25 | MGL GAL | 0.507246 | 0.6 |
26 | GAA | 0.506667 | 0.944444 |
27 | DCB | 0.505747 | 0.854839 |
28 | BDP NPO GNS BDP GNS BDP GNS | 0.504951 | 0.716216 |
29 | LEC | 0.5 | 0.809524 |
30 | 6ZC | 0.5 | 0.809524 |
31 | LAM | 0.494624 | 0.946429 |
32 | XYS GLC GLC | 0.4875 | 0.611111 |
33 | BGC XGP | 0.486486 | 0.666667 |
34 | GLC GLC G6D ADH GLC GLC | 0.47561 | 0.65 |
35 | MAN BMA BMA | 0.473684 | 0.6 |
36 | JFZ | 0.465753 | 0.814815 |
37 | LAG | 0.463415 | 0.6875 |
38 | LEC NGA | 0.461538 | 0.828125 |
39 | XTG | 0.45977 | 0.896552 |
40 | GLC EDO GLC | 0.459459 | 0.6 |
41 | 56N | 0.457143 | 0.622642 |
42 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.455696 | 0.622642 |
43 | 3XN | 0.455556 | 0.8125 |
44 | GAT | 0.450704 | 0.690909 |
45 | GAL PHB | 0.445946 | 0.611111 |
46 | BGC OXZ BGC | 0.444444 | 0.655738 |
47 | BDP NPO GNS IDS GNS BDP GNS | 0.443478 | 0.716216 |
48 | GPM GLC | 0.441558 | 0.655172 |
49 | C3G | 0.441558 | 0.8 |
50 | NFG BGC BGC XYS BGC XYS | 0.439252 | 0.828125 |
51 | 3X8 | 0.434211 | 0.6 |
52 | BMA BMA BMA BMA GLA | 0.428571 | 0.622642 |
53 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.428571 | 0.622642 |
54 | MBG GLA | 0.422535 | 0.6 |
55 | BGC GLC GLC GLC | 0.416667 | 0.622642 |
56 | GLC GLC GLC GLC GLC | 0.416667 | 0.622642 |
57 | GLO GLC GLC GLC | 0.41573 | 0.6 |
58 | BGC GAL NGA GAL | 0.41573 | 0.606557 |
59 | BGC BGC BGC BGC XYS BGC XYS BGC BGC | 0.413043 | 0.6 |
60 | BGC BGC BGC XYS BGC XYS BGC XYS BGC | 0.413043 | 0.6 |
61 | BGC BGC BGC BGC BGC XYS | 0.413043 | 0.6 |
62 | 145 | 0.4125 | 0.927273 |
63 | GLC BGC BGC | 0.411765 | 0.6 |
64 | NAG GAL BGC GAL | 0.411111 | 0.606557 |
65 | BMA BMA BMA BMA GLA BMA GLA | 0.408602 | 0.618182 |
66 | BGC ZZ1 BGC | 0.408602 | 0.6 |
67 | 9PW | 0.40566 | 0.712329 |
68 | BGC GAL GLA | 0.405063 | 0.622642 |
69 | HNW | 0.405063 | 0.618182 |
70 | SOR GLC GLC | 0.404762 | 0.611111 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BGC BGC BGC BGC | 0.8669 |
This union binding pocket(no: 1) in the query (biounit: 3a9b.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3a9b.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |