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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 2 families. | |||||
1 | 3EA2 | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
2 | 1GYM | ic50 = 2 mM | MYG | C12 H23 N O10 | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4I9T | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
2 | 4F2B | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
3 | 4S3G | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
4 | 4I90 | - | CHT | C5 H14 N O | C[N+](C)(C.... |
5 | 4RV3 | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
6 | 3V16 | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
7 | 4I9J | - | XP5 | C22 H45 N O8 P | CCCCCCC(=O.... |
8 | 3V1H | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
9 | 3EA2 | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
10 | 1GYM | ic50 = 2 mM | MYG | C12 H23 N O10 | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MYG | 1 | 1 |
2 | BQZ | 0.565217 | 0.789474 |
3 | GP1 | 0.510204 | 0.755102 |
4 | KNC | 0.491803 | 0.844444 |
5 | 7XP | 0.461538 | 0.844444 |
6 | CK0 | 0.446154 | 0.826087 |
7 | RIO | 0.424242 | 0.791667 |
8 | PAR | 0.422535 | 0.791667 |
9 | 827 | 0.418919 | 0.730769 |
10 | XXX | 0.416667 | 0.860465 |
11 | MA8 | 0.409091 | 0.77551 |
12 | BGC GLA GAL | 0.4 | 0.731707 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BGC GLC | 0.9420 |
2 | GLC GLC | 0.9392 |
3 | RR7 GLC | 0.9352 |
4 | TW7 GLC | 0.9222 |
5 | BGC BMA | 0.9163 |
6 | BGC GLA | 0.9160 |
7 | GLC GLA | 0.9160 |
8 | BGC BGC | 0.9122 |
9 | GLC IFM | 0.9117 |
10 | RZM | 0.9113 |
11 | GLC BGC | 0.9042 |
12 | NOJ GLC | 0.9001 |
13 | GLC 7LQ | 0.8997 |
14 | GDQ GLC | 0.8974 |
15 | BDF GLC | 0.8962 |
16 | GCS GCS | 0.8956 |
17 | BMA BMA | 0.8955 |
18 | ABL | 0.8953 |
19 | SHG BGC | 0.8950 |
20 | MA1 GLC | 0.8944 |
21 | GLC DMJ | 0.8934 |
22 | FRU GLC | 0.8905 |
23 | IFM BMA | 0.8892 |
24 | BGC GAL | 0.8887 |
25 | BGC Z9D | 0.8885 |
26 | IFM BGC | 0.8884 |
27 | XYP XYS | 0.8872 |
28 | XYP GCU | 0.8855 |
29 | DGO Z61 | 0.8854 |
30 | MBG GLA | 0.8844 |
31 | BMA BGC | 0.8838 |
32 | XMM | 0.8834 |
33 | IDC | 0.8811 |
34 | MAN GLC | 0.8811 |
35 | MAN BMA | 0.8808 |
36 | 7D1 MAN | 0.8807 |
37 | MAN IFM | 0.8806 |
38 | GLC GAL | 0.8786 |
39 | GAL FUC | 0.8764 |
40 | 9MR | 0.8759 |
41 | SDT | 0.8757 |
42 | BEM BEM | 0.8752 |
43 | DGO MAN | 0.8751 |
44 | XYS XYP | 0.8736 |
45 | MAN MNM | 0.8732 |
46 | BMA GAL | 0.8719 |
47 | MAN G63 | 0.8707 |
48 | XYP XYP | 0.8701 |
49 | SGC BGC | 0.8687 |
50 | 7D0 | 0.8646 |
51 | GAA | 0.8646 |
52 | GLA BEZ | 0.8633 |
53 | F9W | 0.8619 |
54 | GLA GLA | 0.8616 |
55 | GAT | 0.8616 |
56 | GLC Z9N | 0.8603 |
57 | 145 | 0.8546 |
This union binding pocket(no: 1) in the query (biounit: 1gym.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |