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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 | 2YJQ | Ki = 5.2 uM | BGC OXZ BGC | n/a | n/a |
2 | 2YIH | - | BGC BGC BGC BGC BGC XYS | n/a | n/a |
3 | 3ZQ9 | Ki = 0.95 uM | NOY BGC | n/a | n/a |
4 | 2EJ1 | - | BGC BGC BGC BGC BGC BGC | n/a | n/a |
5 | 2EEX | - | BGC BGC BGC BGC BGC | n/a | n/a |
6 | 2E0P | - | BGC BGC BGC BGC | n/a | n/a |
7 | 2EO7 | - | BGC BGC 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 | 2YJQ | Ki = 5.2 uM | BGC OXZ BGC | n/a | n/a |
2 | 2YIH | - | BGC BGC BGC BGC BGC XYS | n/a | n/a |
3 | 3ZQ9 | Ki = 0.95 uM | NOY BGC | n/a | n/a |
4 | 2EJ1 | - | BGC BGC BGC BGC BGC BGC | n/a | n/a |
5 | 2EEX | - | BGC BGC BGC BGC BGC | n/a | n/a |
6 | 2E0P | - | BGC BGC BGC BGC | n/a | n/a |
7 | 2EO7 | - | BGC BGC BGC BGC | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NOY BGC | 1 | 1 |
2 | MAN MNM | 0.62069 | 1 |
3 | IFM BGC | 0.55 | 0.82 |
4 | NOJ GLC | 0.516129 | 0.84 |
5 | BQZ | 0.5 | 0.638298 |
6 | GAL GLA | 0.5 | 0.702128 |
7 | GLC DMJ | 0.492063 | 0.84 |
8 | FUC GAL | 0.491803 | 0.666667 |
9 | MBG GLA | 0.482759 | 0.673469 |
10 | MAN G63 | 0.476923 | 0.792453 |
11 | GDQ GLC | 0.476923 | 0.773585 |
12 | 9MR | 0.47619 | 0.78 |
13 | GLC IFM | 0.46875 | 0.836735 |
14 | BGC BGC BGC BGC BGC BGC | 0.460317 | 0.702128 |
15 | BGC BGC BGC | 0.460317 | 0.702128 |
16 | BGC BGC BGC BGC BGC BGC BGC | 0.460317 | 0.702128 |
17 | GLC BGC BGC BGC | 0.460317 | 0.702128 |
18 | BGC BGC BGC BGC BGC | 0.460317 | 0.702128 |
19 | MGL GAL | 0.459016 | 0.673469 |
20 | RZM | 0.459016 | 0.730769 |
21 | BGC GLA GAL | 0.457627 | 0.702128 |
22 | RR7 GLC | 0.451613 | 0.673469 |
23 | MAN MAN | 0.442623 | 0.666667 |
24 | 5QP | 0.4375 | 0.632653 |
25 | MBG GAL | 0.435484 | 0.673469 |
26 | BGC OXZ | 0.430769 | 0.709091 |
27 | ISX | 0.430769 | 0.795918 |
28 | 7D1 MAN | 0.428571 | 0.64 |
29 | MAN BMA BMA | 0.426471 | 0.673469 |
30 | NOK GAL | 0.424658 | 0.803571 |
31 | GLC GLC GLC GLC BGC GLC GLC | 0.421875 | 0.702128 |
32 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.421875 | 0.702128 |
33 | MAN BMA BMA BMA BMA BMA BMA | 0.421875 | 0.702128 |
34 | GLC 7LQ | 0.41791 | 0.632653 |
35 | GCU BGC | 0.41791 | 0.6875 |
36 | CJX | 0.41791 | 0.788462 |
37 | G2I | 0.416667 | 0.8 |
38 | G3I | 0.416667 | 0.8 |
39 | MAN IPD MAN | 0.415385 | 0.618182 |
40 | FRU BMA | 0.415385 | 0.615385 |
41 | GLC EDO GLC | 0.409091 | 0.673469 |
42 | NAG BMA | 0.408451 | 0.759259 |
43 | G2F BGC BGC BGC BGC BGC | 0.408451 | 0.634615 |
44 | MAN MAN BMA | 0.408451 | 0.673469 |
45 | GLC G6P | 0.40625 | 0.618182 |
46 | A2G GAL | 0.405797 | 0.84 |
47 | AHR FUB | 0.403509 | 0.612245 |
48 | NDG GAL | 0.4 | 0.688525 |
49 | BMA MAN MAN | 0.4 | 0.702128 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BGC BGC | 0.9861 |
2 | GLC BGC | 0.9717 |
3 | SHG BGC | 0.9671 |
4 | ABL | 0.9654 |
5 | BMA BGC | 0.9561 |
6 | GLC GAL | 0.9473 |
7 | GCS GCS | 0.9471 |
8 | PA1 GCS | 0.9462 |
9 | BGC GAL | 0.9460 |
10 | SGC BGC | 0.9387 |
11 | IFM BMA | 0.9354 |
12 | BGC Z9D | 0.9349 |
13 | MGL SGC | 0.9315 |
14 | BMA GAL | 0.9276 |
15 | SA0 | 0.9245 |
16 | BMA BMA | 0.9240 |
17 | GAL NGT | 0.9237 |
18 | NGT GAL | 0.9208 |
19 | FRU GAL | 0.9189 |
20 | BMA IFM | 0.9123 |
21 | 145 | 0.9111 |
22 | MAN BMA | 0.9110 |
23 | GLO BGC | 0.9062 |
24 | 43S | 0.9020 |
25 | IDC | 0.8972 |
26 | NAG GAL | 0.8959 |
27 | 6EN | 0.8958 |
28 | GAL NOK | 0.8907 |
29 | NAG GCD | 0.8905 |
30 | 581 | 0.8886 |
31 | NAG GC4 | 0.8882 |
32 | SGC GLC | 0.8863 |
33 | 38E | 0.8862 |
34 | GAL GC2 | 0.8847 |
35 | GWD | 0.8835 |
36 | NAG BDP | 0.8834 |
37 | 6J3 | 0.8834 |
38 | LAM | 0.8825 |
39 | BEM BEM | 0.8811 |
40 | GRI | 0.8807 |
41 | XYP XYP | 0.8806 |
42 | NDG GAD | 0.8772 |
43 | IXM | 0.8771 |
44 | NGA GCD | 0.8771 |
45 | GAL GAL | 0.8769 |
46 | CZ0 | 0.8761 |
47 | NGA GAL | 0.8729 |
48 | 4WS GAL | 0.8715 |
49 | XDL XYP | 0.8709 |
50 | NFG | 0.8705 |
51 | MHD GAL | 0.8704 |
52 | BEM LGU | 0.8689 |
53 | NAG GAD | 0.8651 |
54 | U19 | 0.8648 |
55 | 113 | 0.8645 |
56 | JRO | 0.8643 |
57 | GLA GLA | 0.8617 |
58 | ZJB | 0.8612 |
59 | LOG GAL | 0.8607 |
60 | NKH | 0.8606 |
61 | XYS XYP | 0.8603 |
62 | GAL NAG | 0.8595 |
63 | 18E | 0.8590 |
64 | MNY | 0.8590 |
65 | XTS | 0.8582 |
66 | 9CE | 0.8580 |
67 | UL1 | 0.8544 |
68 | LI4 | 0.8542 |
69 | TXQ | 0.8522 |
This union binding pocket(no: 1) in the query (biounit: 3zq9.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |