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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 3IKR | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
2 | 1PWB | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
3 | 3IKQ | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
4 | 3IKP | - | IPD | C6 H11 O9 P | [C@H]1([C@.... |
5 | 5OXS | - | K5B GMH GMH GLC | n/a | n/a |
6 | 5OXR | - | K5B GMH GMH | n/a | n/a |
7 | 3IKN | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
8 | 4DN8 | - | BMA | C6 H12 O6 | C([C@@H]1[.... |
9 | 2RIA | ic50 = 2.7 mM | 289 | C7 H14 O7 | C([C@H]([C.... |
10 | 3G81 | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
11 | 2ORJ | - | BM3 | C8 H15 N O6 | CC(=O)N[C@.... |
12 | 2GGX | ic50 = 0.32 mM | NPJ | C18 H25 N O13 | c1cc(ccc1[.... |
13 | 2RIE | - | 293 | C7 H14 O6 | C1[C@H]([C.... |
14 | 2RIC | - | GMH GMH | n/a | n/a |
15 | 3G84 | - | MAN MAN | n/a | n/a |
16 | 2ORK | ic50 = 1.4 mM | IPD | C6 H11 O9 P | [C@H]1([C@.... |
17 | 2OS9 | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
18 | 2GGU | ic50 = 0.94 mM | GLC GLC GLC | n/a | n/a |
19 | 3G83 | - | MAN MAN | n/a | n/a |
20 | 2RID | ic50 = 1.7 mM | 291 | C11 H19 N O8 | C=CCO[C@@H.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 3IKR | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
2 | 1PWB | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
3 | 3IKQ | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
4 | 3IKP | - | IPD | C6 H11 O9 P | [C@H]1([C@.... |
5 | 5OXS | - | K5B GMH GMH GLC | n/a | n/a |
6 | 5OXR | - | K5B GMH GMH | n/a | n/a |
7 | 3IKN | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
8 | 2MSB | Ki = 1.3 mM | NAG BMA MAN MAN MAN MAN MAN | n/a | n/a |
9 | 4DN8 | - | BMA | C6 H12 O6 | C([C@@H]1[.... |
10 | 1AFB | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
11 | 1KWW | - | MFU | C7 H14 O5 | C[C@H]1[C@.... |
12 | 1KX0 | - | MAN MAN | n/a | n/a |
13 | 1KWY | - | MAN MAN | n/a | n/a |
14 | 1FIH | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
15 | 4KMB | - | MAG FUC G4S | n/a | n/a |
16 | 1BCH | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
17 | 1KWV | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
18 | 1BCJ | Kd = 0.2 mM | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
19 | 1KWX | - | MFB | C7 H14 O5 | C[C@H]1[C@.... |
20 | 1KWU | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
21 | 1KWZ | - | MAN MAN | n/a | n/a |
22 | 1AFA | - | MBG | C7 H14 O6 | CO[C@H]1[C.... |
23 | 3KMB | - | FUC | C6 H12 O5 | C[C@H]1[C@.... |
24 | 2KMB | - | NAG GAL SIA FUC | n/a | n/a |
25 | 2RIA | ic50 = 2.7 mM | 289 | C7 H14 O7 | C([C@H]([C.... |
26 | 3G81 | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
27 | 2ORJ | - | BM3 | C8 H15 N O6 | CC(=O)N[C@.... |
28 | 2GGX | ic50 = 0.32 mM | NPJ | C18 H25 N O13 | c1cc(ccc1[.... |
29 | 2RIE | - | 293 | C7 H14 O6 | C1[C@H]([C.... |
30 | 2RIC | - | GMH GMH | n/a | n/a |
31 | 3G84 | - | MAN MAN | n/a | n/a |
32 | 2ORK | ic50 = 1.4 mM | IPD | C6 H11 O9 P | [C@H]1([C@.... |
33 | 2OS9 | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
34 | 2GGU | ic50 = 0.94 mM | GLC GLC GLC | n/a | n/a |
35 | 3G83 | - | MAN MAN | n/a | n/a |
36 | 2RID | ic50 = 1.7 mM | 291 | C11 H19 N O8 | C=CCO[C@@H.... |
37 | 6RYM | - | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
38 | 6RYN | - | GN1 | C8 H16 N O9 P | CC(=O)N[C@.... |
39 | 1KZD | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
40 | 1RDI | Ki = 8.8 mM | MFU | C7 H14 O5 | C[C@H]1[C@.... |
41 | 1RDL | Ki = 5.7 mM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
42 | 1KZC | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
43 | 1KZA | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
44 | 1KZE | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
45 | 1RDN | Ki = 14.4 mM | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
46 | 1RDK | Ki = 114 mM | GAL | C6 H12 O6 | C([C@@H]1[.... |
47 | 1KZB | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
48 | 1RDJ | Ki = 21.7 mM | MFB | C7 H14 O5 | C[C@H]1[C@.... |
49 | 1RDM | Ki = 5.7 mM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NPJ | 1 | 1 |
2 | RCB | 0.967742 | 1 |
3 | 147 | 0.725806 | 0.962264 |
4 | NBZ GLA | 0.725806 | 0.962264 |
5 | GLA NPO | 0.725806 | 0.962264 |
6 | MBE | 0.725806 | 0.962264 |
7 | PNW | 0.725806 | 0.962264 |
8 | PNG | 0.725806 | 0.962264 |
9 | PNA | 0.725806 | 0.962264 |
10 | KHP | 0.677419 | 0.890909 |
11 | NGB | 0.6 | 1 |
12 | A2G NPO GAL | 0.6 | 0.84127 |
13 | NSQ | 0.555556 | 0.710145 |
14 | MBF NIN BMA BMA | 0.54023 | 0.854839 |
15 | BGC 4MU BGC | 0.535714 | 0.6 |
16 | BDP NPO NDG BDP NDG | 0.530612 | 0.828125 |
17 | BGC 4MU BGC BGC BGC | 0.529412 | 0.6 |
18 | PNJ | 0.527778 | 0.87931 |
19 | 6Y2 | 0.523256 | 0.828125 |
20 | BGC GLA GAL | 0.523077 | 0.622642 |
21 | MGL GAL | 0.522388 | 0.6 |
22 | GAA | 0.520548 | 0.944444 |
23 | BDP NPO GNS BDP | 0.520408 | 0.702703 |
24 | DCB | 0.517647 | 0.854839 |
25 | 6ZC | 0.512821 | 0.809524 |
26 | LEC | 0.512821 | 0.809524 |
27 | LAM | 0.505495 | 0.946429 |
28 | BGC XGP | 0.5 | 0.666667 |
29 | BDP NPO GNS BDP GNS BDP GNS | 0.5 | 0.716216 |
30 | GLC GLC GLC GLC BGC GLC GLC | 0.485714 | 0.622642 |
31 | MAN BMA BMA BMA BMA BMA BMA | 0.485714 | 0.622642 |
32 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.485714 | 0.622642 |
33 | JFZ | 0.478873 | 0.814815 |
34 | GLC EDO GLC | 0.472222 | 0.6 |
35 | LEC NGA | 0.47191 | 0.828125 |
36 | XTG | 0.470588 | 0.896552 |
37 | 56N | 0.470588 | 0.622642 |
38 | 3XN | 0.465909 | 0.8125 |
39 | GAT | 0.463768 | 0.690909 |
40 | XYS GLC GLC | 0.4625 | 0.611111 |
41 | GAL PHB | 0.458333 | 0.611111 |
42 | GPM GLC | 0.453333 | 0.655172 |
43 | C3G | 0.453333 | 0.8 |
44 | GLC GLC G6D ADH GLC GLC | 0.451219 | 0.65 |
45 | MAN BMA BMA | 0.447368 | 0.6 |
46 | 3X8 | 0.445946 | 0.6 |
47 | LAG | 0.439024 | 0.6875 |
48 | BDP NPO GNS IDS GNS BDP GNS | 0.438596 | 0.716216 |
49 | MBG GLA | 0.434783 | 0.6 |
50 | NFG BGC BGC XYS BGC XYS | 0.433962 | 0.828125 |
51 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.43038 | 0.622642 |
52 | 145 | 0.423077 | 0.927273 |
53 | GLC BGC BGC | 0.421687 | 0.6 |
54 | BGC OXZ BGC | 0.419753 | 0.655738 |
55 | BGC GAL GLA | 0.415584 | 0.622642 |
56 | HNW | 0.415584 | 0.618182 |
57 | SOR GLC GLC | 0.414634 | 0.611111 |
58 | 9PW | 0.413462 | 0.712329 |
59 | GLA BEZ | 0.405063 | 0.62963 |
60 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.404762 | 0.622642 |
61 | BMA BMA BMA BMA GLA | 0.404762 | 0.622642 |
62 | NAG GAL BGC GAL | 0.404494 | 0.606557 |
63 | GLO GLC GLC | 0.402299 | 0.6 |
64 | BGC BGC XYS GAL | 0.402299 | 0.6 |
65 | BGC ZZ1 BGC | 0.402174 | 0.6 |
66 | MAN IPD MAN | 0.4 | 0.666667 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | XYP GLC GLC | 0.8960 |
This union binding pocket(no: 1) in the query (biounit: 2ggx.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2ggx.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2ggx.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2OX9 | NAG FUC GAL | 43.5714 |