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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 214 families. | |||||
1 | 1O7S | - | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
2 | 2G5R | - | NXD | C14 H23 N3 O10 | CC(=O)N[C@.... |
3 | 2HRL | - | CEQ BGC NGA GAL SIA SIA | n/a | n/a |
4 | 2DF3 | - | NAG GAL SIA SIA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 1O7S | - | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
2 | 2G5R | - | NXD | C14 H23 N3 O10 | CC(=O)N[C@.... |
3 | 2HRL | - | CEQ BGC NGA GAL SIA SIA | n/a | n/a |
4 | 2DF3 | - | NAG GAL SIA SIA | n/a | n/a |
5 | 6D4A | Kd = 118 uM | FVP | C42 H64 N6 O20 | Cc1cc(cc(c.... |
6 | 6D49 | Kd = 118 uM | FVP | C42 H64 N6 O20 | Cc1cc(cc(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CEQ BGC NGA GAL SIA SIA | 1 | 1 |
2 | BGC CEQ GAL SLB NGA GAL SIA SIA | 0.783217 | 0.953846 |
3 | BGC GAL SIA NGA SIA | 0.639456 | 0.815385 |
4 | BGC GAL SIA SIA | 0.594406 | 0.815385 |
5 | GAL SIA NGA GAL SIA SIA | 0.577181 | 0.815385 |
6 | GAL NGA GAL SIA SIA | 0.552632 | 0.815385 |
7 | BGC GAL SIA NAG | 0.544218 | 0.8 |
8 | GAL SIA SIA | 0.536232 | 0.815385 |
9 | BGC GAL SIA NGA GAL | 0.526316 | 0.8 |
10 | BGC GAL SIA NGA GAL SIA | 0.519737 | 0.8 |
11 | BGC GAL SIA NGA GAL FUC | 0.509317 | 0.8 |
12 | GAL SIA NGA | 0.493056 | 0.8 |
13 | BGC 18C GAL SIA NGA GAL | 0.491713 | 0.867647 |
14 | GAL SIA NGA GAL SIA | 0.489933 | 0.8 |
15 | NAG GAL SIA | 0.486111 | 0.8 |
16 | SIA GAL NGA GAL | 0.48 | 0.8 |
17 | BGC GAL GLA NGA GAL SIA | 0.477707 | 0.8 |
18 | BGC 16C GAL SIA | 0.476471 | 0.867647 |
19 | BGC 18C GAL SIA | 0.47093 | 0.867647 |
20 | MAG FUC GAL SIA | 0.467532 | 0.8 |
21 | GAL NGA GAL SIA | 0.460526 | 0.8 |
22 | SIA SIA SIA | 0.460432 | 0.8 |
23 | GAL NAG FUC GAL SIA | 0.459119 | 0.8 |
24 | NAG FUC GAL SIA | 0.458065 | 0.8 |
25 | SIA SIA SIA SIA SIA SIA SIA | 0.455882 | 0.8 |
26 | SLB SIA SIA SIA SIA | 0.455882 | 0.8 |
27 | SLB SIA SIA | 0.455882 | 0.8 |
28 | SLB SIA SIA SIA | 0.455882 | 0.8 |
29 | NGS GAL SIA | 0.454545 | 0.679487 |
30 | NAG GAL NGC | 0.453947 | 0.8 |
31 | A2G GAL SIA | 0.44898 | 0.8 |
32 | SIA SIA | 0.448529 | 0.8 |
33 | NDG GAL SIA SIA | 0.448052 | 0.846154 |
34 | NGA GAL SIA | 0.440789 | 0.784615 |
35 | GLC GAL NGC | 0.430464 | 0.769231 |
36 | NGS FUC GLA SIA | 0.430303 | 0.679487 |
37 | BGC GAL SIA | 0.423841 | 0.784615 |
38 | GAL SIA NGA GAL | 0.423077 | 0.815385 |
39 | NAG GAL SIA SIA | 0.420382 | 0.815385 |
40 | Z3Q GAL 5N6 | 0.419753 | 0.763889 |
41 | 2FG SIA | 0.415493 | 0.724638 |
42 | NGA POL GAL NGC AZI | 0.414634 | 0.697368 |
43 | BGC GAL NAG GAL SIA | 0.409639 | 0.815385 |
44 | NAG 2FG SIA | 0.409091 | 0.753623 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 2hrl.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |