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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 426 families. | |||||
1 | 1SL5 | - | GAL NAG FUC GAL | n/a | n/a |
2 | 2IT5 | - | MAN MAN MAN | n/a | n/a |
3 | 1K9J | - | MAN MAN MAN NAG NAG | n/a | n/a |
4 | 1SL4 | - | MAN MAN MAN MAN | n/a | n/a |
5 | 2IT6 | - | MAN MAN | n/a | n/a |
6 | 1K9I | - | MAN MAN MAN NAG NAG | n/a | n/a |
7 | 6GHV | Kd = 52 uM | EZ8 | C35 H48 Cl N6 O10 | c1cc(ccc1C.... |
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 | GAL NAG FUC GAL | 1 | 1 |
2 | GAL NAG GAL FUC FUC | 0.822785 | 0.978723 |
3 | GLA NAG FUC GAL | 0.694118 | 0.978723 |
4 | NAG FUC GAL | 0.679487 | 1 |
5 | GLA NAG GAL FUC | 0.666667 | 1 |
6 | BGC GAL NAG GAL FUC FUC | 0.663043 | 0.978723 |
7 | GAL NAG GAL | 0.65 | 0.978261 |
8 | BGC FUC GAL NAG GAL | 0.648352 | 1 |
9 | GLC BGC FUC GAL | 0.618421 | 0.73913 |
10 | BGC FUC GAL | 0.618421 | 0.73913 |
11 | BGC FUC GAL NAG | 0.617977 | 1 |
12 | GAL NAG GAL NAG GAL | 0.611765 | 0.958333 |
13 | GAL NAG FUC GAL SIA | 0.590909 | 0.884615 |
14 | MAG GAL FUC FUC | 0.569767 | 0.958333 |
15 | MAG FUC GAL FUC | 0.569767 | 0.958333 |
16 | GLC GAL NAG GAL FUC GLA | 0.555556 | 1 |
17 | GAL NGA A2G | 0.554217 | 0.958333 |
18 | BGC GAL NAG GAL FUC | 0.552083 | 1 |
19 | NDG FUC GAL FUC | 0.551724 | 0.978723 |
20 | NAG GAL FUC FUC | 0.551724 | 0.978723 |
21 | GAL GLA | 0.549296 | 0.717391 |
22 | BMA MAN NAG | 0.546512 | 0.978261 |
23 | MAG FUC SGA | 0.537634 | 0.692308 |
24 | NAG GAL FUC GLA | 0.532609 | 1 |
25 | GAL FUC A2G | 0.528736 | 1 |
26 | BGC GAL NAG GAL | 0.52809 | 0.978261 |
27 | MAG FUC G4S | 0.526882 | 0.692308 |
28 | BGC FUC GAL FUC A2G | 0.526316 | 0.978723 |
29 | GAL FUC GAL | 0.525 | 0.73913 |
30 | NAG FUC | 0.525 | 0.978261 |
31 | BGC GAL GLA NGA GAL | 0.521739 | 0.978261 |
32 | MAG SGA FUC | 0.521277 | 0.730159 |
33 | BGC BGC BGC BGC BGC | 0.513158 | 0.717391 |
34 | BGC BGC BGC BGC BGC BGC | 0.513158 | 0.717391 |
35 | GLC BGC BGC BGC | 0.513158 | 0.717391 |
36 | BGC BGC BGC BGC BGC BGC BGC | 0.513158 | 0.717391 |
37 | BGC BGC BGC | 0.513158 | 0.717391 |
38 | NAG GAL FUC | 0.511364 | 1 |
39 | NAG GAL FUC FUC A2G | 0.510204 | 0.938776 |
40 | NAG FUC GAL FUC A2G | 0.510204 | 0.938776 |
41 | BGC GAL NGA GAL | 0.505618 | 0.978261 |
42 | GLC GAL NAG GAL FUC A2G | 0.5 | 0.938776 |
43 | NAG GAL FUC A2G | 0.5 | 1 |
44 | A2G GAL | 0.5 | 0.978261 |
45 | BGC GAL FUC A2G | 0.489796 | 1 |
46 | NAG GAL NAG GAL | 0.48913 | 0.958333 |
47 | NAG GAL NAG GAL NAG GAL | 0.48913 | 0.938776 |
48 | NAG GAL GAL | 0.482759 | 0.978261 |
49 | NAG GAL | 0.481481 | 0.978261 |
50 | MGC GAL | 0.481481 | 0.978723 |
51 | BGC GAL FUC GLA | 0.477778 | 0.73913 |
52 | NAG NON FUC GAL FUC | 0.475728 | 0.836364 |
53 | GAL NAG GAL FUC | 0.474227 | 0.958333 |
54 | GAL NAG GAL SIA | 0.473214 | 0.867925 |
55 | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | 0.466019 | 0.92 |
56 | BGC GAL GLA NGA | 0.463158 | 0.978261 |
57 | BMA MAN MAN NAG GAL NAG | 0.462264 | 0.958333 |
58 | BGC GAL NAG | 0.456522 | 0.978261 |
59 | MAN NAG GAL | 0.455556 | 0.978261 |
60 | NDG GLA NAG GLC RAM | 0.454545 | 0.938776 |
61 | NDG NAG GLA NAG GLC RAM | 0.454545 | 0.938776 |
62 | BGC GAL FUC | 0.453488 | 0.73913 |
63 | GLC GAL BGC FUC | 0.453488 | 0.73913 |
64 | A2G MBN GAL | 0.451613 | 0.9375 |
65 | TVD GAL | 0.445783 | 0.938776 |
66 | C4W NAG FUC BMA MAN | 0.445455 | 0.884615 |
67 | MAG FUC GAL SIA | 0.444444 | 0.849057 |
68 | NDG GLA GLC NAG GLC RAM | 0.442478 | 0.938776 |
69 | C4W NAG FUC BMA | 0.442308 | 0.884615 |
70 | GCU BGC | 0.439024 | 0.702128 |
71 | MAN MAN M6P | 0.438202 | 0.6 |
72 | NAG NAG BMA MAN | 0.435644 | 0.884615 |
73 | BGC BGC BGC BGC | 0.433333 | 0.717391 |
74 | NAG FUC GAL SIA | 0.432203 | 0.884615 |
75 | NAG NAG BMA | 0.431579 | 0.884615 |
76 | NAG BMA | 0.430233 | 0.88 |
77 | BGC GAL NAG NAG GAL GAL | 0.428571 | 0.958333 |
78 | BGC GAL NGA | 0.428571 | 0.978261 |
79 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.427184 | 0.958333 |
80 | NAG GAL NAG | 0.425532 | 0.958333 |
81 | FUC GAL | 0.425 | 0.717391 |
82 | BMA MAN MAN | 0.423529 | 0.717391 |
83 | HSH A2G FUC | 0.421569 | 0.836364 |
84 | GAL A2G MBN | 0.421053 | 0.918367 |
85 | NAG GAL BGC GAL | 0.421053 | 0.978261 |
86 | LOG GAL | 0.41573 | 0.789474 |
87 | HSH GLA FUC | 0.414894 | 0.648148 |
88 | A2G SER GAL | 0.414894 | 0.865385 |
89 | BGC RAM BGC GAD | 0.413462 | 0.7 |
90 | A2G THR GAL | 0.410526 | 0.901961 |
91 | GAL GC2 | 0.410526 | 0.676923 |
92 | SIA GAL NGA GAL | 0.410256 | 0.884615 |
93 | NAG NAG FUL BMA MAN MAN NAG GAL | 0.409836 | 0.867925 |
94 | BMA MAN MAN MAN | 0.408602 | 0.744681 |
95 | GAL FUC NGA | 0.40625 | 0.918367 |
96 | MAN MAN MAN NAG NAG | 0.405941 | 0.958333 |
97 | C4W NAG FUC BMA MAN NAG GAL | 0.403361 | 0.793103 |
98 | A2G GAL NAG | 0.402062 | 0.958333 |
99 | NAG NAG MAN MAN MAN | 0.401869 | 0.958333 |
100 | BGC GAL GLA | 0.4 | 0.717391 |
No: | Ligand | Similarity coefficient |
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