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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 43 families. | |||||
1 | 1HF6 | - | GLC BGC BGC | n/a | n/a |
2 | 1QI0 | - | BGC BGC | n/a | n/a |
3 | 3A3H | - | GLC BGC BGC | n/a | n/a |
4 | 1E5J | Ki = 100 uM | MGL SGC SGC GLC | n/a | n/a |
5 | 8A3H | Ki = 88 uM | IDC | C14 H22 N2 O9 | c1cn2c(n1).... |
6 | 1W3L | Ki = 0.52 uM | BGC BGC OXZ | n/a | n/a |
7 | 4A3H | - | DCB | C18 H23 F N2 O14 | c1cc(c(cc1.... |
8 | 1H5V | - | MA3 SGC SGC SSG GLC | n/a | n/a |
9 | 1H2J | - | DCB | C18 H23 F N2 O14 | c1cc(c(cc1.... |
10 | 1OCQ | Ki = 6.5 uM | IFM BGC | n/a | n/a |
11 | 1W3K | Ki = 50 uM | BGC OXZ | n/a | n/a |
12 | 2A3H | - | BGC BGC | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 32 families. | |||||
1 | 1HF6 | - | GLC BGC BGC | n/a | n/a |
2 | 1QI0 | - | BGC BGC | n/a | n/a |
3 | 3A3H | - | GLC BGC BGC | n/a | n/a |
4 | 1E5J | Ki = 100 uM | MGL SGC SGC GLC | n/a | n/a |
5 | 8A3H | Ki = 88 uM | IDC | C14 H22 N2 O9 | c1cn2c(n1).... |
6 | 1W3L | Ki = 0.52 uM | BGC BGC OXZ | n/a | n/a |
7 | 4A3H | - | DCB | C18 H23 F N2 O14 | c1cc(c(cc1.... |
8 | 1H5V | - | MA3 SGC SGC SSG GLC | n/a | n/a |
9 | 1H2J | - | DCB | C18 H23 F N2 O14 | c1cc(c(cc1.... |
10 | 1OCQ | Ki = 6.5 uM | IFM BGC | n/a | n/a |
11 | 1W3K | Ki = 50 uM | BGC OXZ | n/a | n/a |
12 | 2A3H | - | BGC BGC | n/a | n/a |
13 | 1G0C | - | BGC BGC | n/a | n/a |
14 | 1TVP | - | BGC BGC | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLC BGC BGC | 1 | 1 |
2 | GLO GLC GLC | 0.791045 | 1 |
3 | GLO GLC GLC GLC | 0.768116 | 1 |
4 | SOR GLC GLC | 0.701493 | 0.971429 |
5 | GLO BGC | 0.550725 | 0.914286 |
6 | BGC GLA GAL | 0.539683 | 0.942857 |
7 | MGL GAL | 0.515152 | 0.891892 |
8 | GLC GLC GLC GLC BGC GLC GLC | 0.5 | 0.942857 |
9 | G2F SHG BGC BGC | 0.5 | 0.846154 |
10 | MAN BMA BMA BMA BMA BMA BMA | 0.5 | 0.942857 |
11 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.5 | 0.942857 |
12 | BGC XGP | 0.492958 | 0.75 |
13 | GLC EDO GLC | 0.485714 | 0.944444 |
14 | GLO GLC | 0.463768 | 0.885714 |
15 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.460526 | 0.942857 |
16 | BGC 5VQ GAL GLA | 0.459459 | 0.846154 |
17 | MAN BMA BMA | 0.459459 | 0.944444 |
18 | GLO BGC BGC XYS BGC XYS XYS | 0.458333 | 0.972222 |
19 | FRU BGC BGC BGC | 0.454545 | 0.871795 |
20 | GPM GLC | 0.445946 | 0.733333 |
21 | BGC GAL GLA | 0.445946 | 0.942857 |
22 | G2F BGC BGC BGC BGC BGC | 0.441558 | 0.825 |
23 | GLC NBU GAL GLA | 0.441558 | 0.804878 |
24 | GAL GLA | 0.441176 | 0.942857 |
25 | GCO GAL | 0.44 | 0.916667 |
26 | CEZ | 0.44 | 0.942857 |
27 | XYS GLC GLC | 0.4375 | 0.971429 |
28 | BQZ | 0.4375 | 0.857143 |
29 | LAG | 0.432099 | 0.607143 |
30 | 6UZ | 0.432099 | 0.804878 |
31 | BGC OXZ BGC | 0.43038 | 0.693878 |
32 | LMU | 0.43038 | 0.75 |
33 | LMT | 0.43038 | 0.75 |
34 | G2I | 0.43038 | 0.772727 |
35 | DMU | 0.43038 | 0.75 |
36 | UMQ | 0.43038 | 0.75 |
37 | G3I | 0.43038 | 0.772727 |
38 | GAL NAG GAL | 0.428571 | 0.73913 |
39 | GLC GLC G6D ADH GLC GLC | 0.426829 | 0.6875 |
40 | NPJ | 0.421687 | 0.6 |
41 | NAG GAL | 0.421053 | 0.73913 |
42 | TVD GAL | 0.421053 | 0.68 |
43 | BGC GAL NGA GAL | 0.418605 | 0.73913 |
44 | MAN NAG GAL | 0.416667 | 0.73913 |
45 | BMA BMA BMA BMA GLA | 0.414634 | 0.942857 |
46 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.414634 | 0.942857 |
47 | NAG GAL BGC GAL | 0.413793 | 0.73913 |
48 | RCB | 0.411765 | 0.6 |
49 | GLC BGC BGC BGC | 0.410959 | 0.942857 |
50 | BGC BGC BGC BGC BGC | 0.410959 | 0.942857 |
51 | BGC BGC BGC BGC BGC BGC | 0.410959 | 0.942857 |
52 | BGC BGC BGC | 0.410959 | 0.942857 |
53 | BGC BGC BGC BGC BGC BGC BGC | 0.410959 | 0.942857 |
54 | MBG GAL | 0.408451 | 0.891892 |
55 | CM5 | 0.406977 | 0.846154 |
56 | BGC GAL GLA NGA GAL | 0.406593 | 0.73913 |
57 | MBG GLA | 0.405797 | 0.891892 |
58 | BMA BMA BMA BMA | 0.405063 | 0.942857 |
59 | GAL NAG GAL NAG GAL | 0.404494 | 0.693878 |
60 | BGC GLC GLC GLC | 0.402439 | 0.942857 |
61 | GLC GLC GLC GLC GLC | 0.402439 | 0.942857 |
62 | MA4 | 0.402299 | 0.846154 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GCS GCS GCS | 0.9672 |
2 | GLC SHD Z6H | 0.9569 |
3 | BMA BMA BGC | 0.9455 |
4 | SGC SGC BGC | 0.9230 |
5 | GTM BGC BGC | 0.9194 |
6 | BMA BMA BMA | 0.9188 |
7 | GS1 GLC GS1 | 0.9055 |
8 | GCU MAV MAW | 0.8906 |
9 | XYP XYP XYP | 0.8853 |
10 | XYS XYP XYP | 0.8707 |
11 | GLC GLC GLC | 0.8707 |