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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 426 families. | |||||
1 | 3P7G | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
2 | 4N36 | - | 2F8 | C9 H17 N O6 | CC(=O)N[C@.... |
3 | 4N33 | - | GAL NAG | n/a | n/a |
4 | 3P5I | - | NAG G6S | n/a | n/a |
5 | 3P5H | - | BGC BGC | n/a | n/a |
6 | 4N37 | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
7 | 4N34 | - | 2F8 | C9 H17 N O6 | CC(=O)N[C@.... |
8 | 3P5E | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
9 | 3P5D | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
10 | 3P5G | - | FUC | C6 H12 O5 | C[C@H]1[C@.... |
11 | 4N32 | - | 2F8 | C9 H17 N O6 | CC(=O)N[C@.... |
12 | 3P7H | - | GLC GLC | n/a | n/a |
13 | 4N38 | - | GAL NAG | n/a | n/a |
14 | 4N35 | - | GAL NAG | n/a | n/a |
15 | 3P5F | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
16 | 5M62 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 4N33 | - | GAL NAG | n/a | n/a |
2 | 3P5I | - | NAG G6S | n/a | n/a |
3 | 3P5H | - | BGC BGC | n/a | n/a |
4 | 4N37 | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
5 | 4N34 | - | 2F8 | C9 H17 N O6 | CC(=O)N[C@.... |
6 | 3P5E | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
7 | 6PWR | - | MAN NAG | n/a | n/a |
8 | 6PWS | Ki = 1.6 mM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
9 | 5G6U | ic50 = 0.22 uM | SGN | C6 H13 N O11 S2 | C([C@@H]1[.... |
10 | 5VYB | - | BMA MAN MAN MAN MAN MAN MAN | n/a | n/a |
11 | 1SL5 | - | GAL NAG FUC GAL | n/a | n/a |
12 | 2IT5 | - | MAN MAN MAN | n/a | n/a |
13 | 6LFJ | Kd = 140 uM | MAN IPD MAN | n/a | n/a |
14 | 1K9J | - | MAN MAN MAN NAG NAG | n/a | n/a |
15 | 1SL4 | - | MAN MAN MAN MAN | n/a | n/a |
16 | 2IT6 | - | MAN MAN | n/a | n/a |
17 | 1K9I | - | MAN MAN MAN NAG NAG | n/a | n/a |
18 | 6GHV | Kd = 52 uM | EZ8 | C35 H48 Cl N6 O10 | c1cc(ccc1C.... |
19 | 3VYK | Kd = 0.000023 M | MMA MAN NAG MAN NAG NAG | n/a | n/a |
20 | 4KZV | - | GLC GLC | n/a | n/a |
21 | 4ZRV | - | GLC U8V | n/a | n/a |
22 | 5KTH | - | GLC GLC 6X7 6X7 | n/a | n/a |
23 | 5KTI | - | GLC GLC 6X6 | n/a | n/a |
24 | 2OX9 | - | NAG FUC GAL | n/a | n/a |
25 | 4ZES | Ki = 9.4 mM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
26 | 3WH2 | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
27 | 5JPV | - | GLC GAL | n/a | n/a |
28 | 5JQ1 | - | ZPF | C9 H15 N O6 | CC(=O)N[C@.... |
29 | 1SL6 | - | NDG FUC GAL | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NAG G6S | 1 | 1 |
2 | NAG GAL | 0.723077 | 0.725806 |
3 | NAG GAL GAL | 0.635135 | 0.725806 |
4 | GDL NAG | 0.575342 | 0.71875 |
5 | NAG GAL NAG GAL | 0.573171 | 0.71875 |
6 | NAG GAL NAG GAL NAG GAL | 0.573171 | 0.707692 |
7 | NAG BMA MAN MAN MAN MAN | 0.561798 | 0.725806 |
8 | NAG GAL FUC A2G | 0.55 | 0.714286 |
9 | NAG GAL BGC GAL | 0.548781 | 0.725806 |
10 | NDG NAG NAG NAG NAG | 0.545455 | 0.707692 |
11 | NAG NAG NAG NAG NAG | 0.545455 | 0.707692 |
12 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.545455 | 0.707692 |
13 | NAG NAG NAG NAG NAG NAG | 0.545455 | 0.707692 |
14 | NAG NAG MAN MAN MAN | 0.543478 | 0.71875 |
15 | NAG GAL NAG | 0.536585 | 0.71875 |
16 | GAL SO4 GAL | 0.533333 | 0.806452 |
17 | NAG GAL FUC GLA | 0.528736 | 0.714286 |
18 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.526316 | 0.725806 |
19 | NAG GAL UNU | 0.523256 | 0.707692 |
20 | NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN | 0.520833 | 0.725806 |
21 | TVD GAL | 0.513514 | 0.707692 |
22 | NAG BMA MAN MAN NAG GAL NAG GAL | 0.510204 | 0.707692 |
23 | NAG GAL 5N6 | 0.504762 | 0.705882 |
24 | NAG NAG | 0.5 | 0.707692 |
25 | NAG NAG NAG TMX | 0.494118 | 0.690141 |
26 | GAL NAG GAL | 0.493976 | 0.725806 |
27 | NAG GCS GCS | 0.488636 | 0.707692 |
28 | ASG | 0.486111 | 0.904762 |
29 | NDG BMA MAN MAN NAG GAL NAG | 0.485437 | 0.707692 |
30 | MAN NAG GAL | 0.481928 | 0.725806 |
31 | NDG BMA MAN MAN NAG MAN MAN | 0.480769 | 0.71875 |
32 | NAG NAG BMA MAN MAN NAG GAL NAG | 0.480769 | 0.707692 |
33 | A2G GAL | 0.473684 | 0.725806 |
34 | NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.471698 | 0.71875 |
35 | SN5 SN5 | 0.468354 | 0.651515 |
36 | GAL NAG GAL NAG GAL | 0.465909 | 0.71875 |
37 | NAG FUC GAL | 0.464286 | 0.714286 |
38 | NAG NAG BMA MAN NAG | 0.463158 | 0.707692 |
39 | NAG GAL NAG GAL SIA | 0.46087 | 0.716418 |
40 | NAG GAL BEK | 0.458333 | 0.630137 |
41 | BGC GAL NGA | 0.452381 | 0.725806 |
42 | BGC GAL NAG NAG GAL GAL | 0.44898 | 0.71875 |
43 | BGC GAL NGA GAL | 0.448276 | 0.725806 |
44 | NGS GAL SIA | 0.445455 | 0.939394 |
45 | ASG GC4 | 0.444444 | 0.9375 |
46 | NBG BGC BGC XYS BGC XYS XYS | 0.442105 | 0.703125 |
47 | NG6 GCD | 0.43956 | 0.923077 |
48 | NAG NAG BMA | 0.438202 | 0.676471 |
49 | BGC GAL NAG GAL | 0.438202 | 0.725806 |
50 | NAG GCU NAG GCD | 0.438095 | 0.681159 |
51 | NAG BMA | 0.4375 | 0.666667 |
52 | MAG SGA FUC | 0.43617 | 0.984127 |
53 | ASG GCD | 0.434783 | 0.907692 |
54 | NG6 | 0.432432 | 0.904762 |
55 | NGS | 0.432432 | 0.904762 |
56 | KPM | 0.431579 | 0.686567 |
57 | BGC GAL SIA | 0.428571 | 0.738462 |
58 | NAG GAL FUC FUC | 0.426966 | 0.703125 |
59 | NDG FUC GAL FUC | 0.426966 | 0.703125 |
60 | NDG | 0.426471 | 0.645161 |
61 | A2G | 0.426471 | 0.645161 |
62 | BM3 | 0.426471 | 0.645161 |
63 | NGA | 0.426471 | 0.645161 |
64 | HSQ | 0.426471 | 0.645161 |
65 | NAG | 0.426471 | 0.645161 |
66 | A2G GAL NAG | 0.422222 | 0.71875 |
67 | 8EX GCD | 0.421053 | 0.907692 |
68 | BMA MAN NAG | 0.420455 | 0.725806 |
69 | ASG IDR ASG IDR | 0.42 | 0.938462 |
70 | BGC GAL GLA NGA GAL | 0.419355 | 0.725806 |
71 | NAG GAL SIA | 0.419048 | 0.727273 |
72 | BMX | 0.418919 | 0.727273 |
73 | 16G | 0.418919 | 0.727273 |
74 | 4QY | 0.418919 | 0.727273 |
75 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.418367 | 0.71875 |
76 | MGC GAL | 0.417722 | 0.703125 |
77 | BGC GAL NAG | 0.41573 | 0.725806 |
78 | BMA MAN MAN NAG GAL NAG | 0.413462 | 0.71875 |
79 | NDG GAL | 0.4125 | 0.638889 |
80 | NDG NAG | 0.409639 | 0.707692 |
81 | BGC GAL GLA NGA | 0.408602 | 0.725806 |
82 | GNS IDR GNS IDR GNS IDR GNS IDR | 0.40404 | 0.865672 |
83 | A2G NAG | 0.402439 | 0.71875 |
84 | BMX BMX BMX BM3 | 0.4 | 0.80303 |
85 | NG6 BDP ASG GCD | 0.4 | 0.939394 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BGC BG6 | 0.8749 |
This union binding pocket(no: 1) in the query (biounit: 3p7g.bio2) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6PWS | MMA | 45.5224 |
2 | 5KTI | GLC GLC 6X6 | 46.5753 |