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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 | MAN MAN MAN | 1 | 1 |
2 | BMA MAN MAN | 0.777778 | 0.970588 |
3 | BGC BGC BGC BGC | 0.621622 | 0.970588 |
4 | MAN MAN MAN MAN MAN MAN MAN | 0.6125 | 0.970588 |
5 | GAL SO4 GAL | 0.583333 | 0.68 |
6 | GAL GLA | 0.578125 | 0.970588 |
7 | MMA MAN MAN | 0.540541 | 0.916667 |
8 | BGC BGC BGC BGC BGC | 0.536232 | 0.970588 |
9 | BGC BGC BGC | 0.536232 | 0.970588 |
10 | BGC BGC BGC BGC BGC BGC BGC | 0.536232 | 0.970588 |
11 | BGC BGC BGC BGC BGC BGC | 0.536232 | 0.970588 |
12 | GLC BGC BGC BGC | 0.536232 | 0.970588 |
13 | BGC GLC GLC GLC GLC | 0.529412 | 0.970588 |
14 | BGC GLC GLC GLC GLC GLC | 0.529412 | 0.970588 |
15 | BGC GLC GLC | 0.5 | 0.970588 |
16 | GLC GLC GLC GLC GLC | 0.493671 | 0.970588 |
17 | BGC GLC GLC GLC | 0.493671 | 0.970588 |
18 | MAN MAN MAN MAN MAN MAN MAN MAN | 0.483871 | 0.871795 |
19 | MAN MAN BMA | 0.480519 | 0.916667 |
20 | MAN BMA MAN MAN MAN MAN MAN | 0.472527 | 0.916667 |
21 | BMA MAN MAN MAN | 0.46988 | 0.891892 |
22 | BMA BMA BMA BMA GLA | 0.469136 | 0.970588 |
23 | MAN MAN M6P | 0.469136 | 0.809524 |
24 | NAG BMA MAN MAN MAN MAN MAN | 0.465909 | 0.846154 |
25 | BMA MAN MAN MAN MAN | 0.465116 | 0.916667 |
26 | GLC GLC GLC | 0.4625 | 0.916667 |
27 | BMA MAN MAN NAG GAL NAG | 0.46 | 0.673469 |
28 | GCU BGC | 0.453333 | 0.942857 |
29 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.451219 | 0.970588 |
30 | AHR AHR AHR AHR AHR AHR | 0.449275 | 0.833333 |
31 | AHR AHR AHR AHR | 0.449275 | 0.833333 |
32 | AHR AHR AHR AHR AHR | 0.449275 | 0.833333 |
33 | AHR AHR | 0.447761 | 0.833333 |
34 | H1M MAN MAN | 0.445783 | 0.846154 |
35 | BQZ | 0.439394 | 0.882353 |
36 | MAN MAN MAN NAG NAG | 0.430108 | 0.673469 |
37 | BGC GAL GLA | 0.428571 | 0.970588 |
38 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.425 | 0.970588 |
39 | GLC BGC FUC GAL | 0.425 | 0.942857 |
40 | BGC FUC GAL | 0.425 | 0.942857 |
41 | NAG NAG MAN MAN MAN | 0.424242 | 0.673469 |
42 | NAG BMA MAN MAN MAN MAN | 0.42268 | 0.717391 |
43 | MAN BMA BMA BMA BMA BMA BMA | 0.418919 | 0.970588 |
44 | GLC GLC GLC GLC BGC GLC GLC | 0.418919 | 0.970588 |
45 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.418919 | 0.970588 |
46 | BMA NGT MAN MAN | 0.416667 | 0.647059 |
47 | GAL NAG GAL | 0.413793 | 0.717391 |
48 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.411765 | 0.717391 |
49 | A2G GAL NAG | 0.411111 | 0.673469 |
50 | BGC BGC BGC XYS BGC XYS | 0.411111 | 0.916667 |
51 | MMA MAN | 0.410959 | 0.916667 |
52 | MBG GAL | 0.410959 | 0.916667 |
53 | MAN AML MAN MAN MAN MAN MAN MAN MAN | 0.408163 | 0.804878 |
54 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.408163 | 0.673469 |
55 | MAN MAN MAN GLC | 0.402439 | 0.970588 |
56 | BGC BGC BGC XYS BGC XYS BGC XYS BGC | 0.402174 | 0.916667 |
57 | BGC BGC BGC BGC XYS BGC XYS BGC BGC | 0.402174 | 0.916667 |
58 | BGC BGC BGC BGC BGC XYS | 0.402174 | 0.916667 |
59 | NAG GAL BGC GAL | 0.4 | 0.717391 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | YZ0 MAN Z4Y | 0.9447 |