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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- 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 | 2AXR | - | ABL | C12 H21 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 | 5L6F | - | XYP XYP | n/a | n/a |
2 | 5L6G | - | XYS | C5 H10 O5 | C1[C@H]([C.... |
3 | 2AXR | - | ABL | C12 H21 N O10 | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ABL | 1 | 1 |
2 | LAG | 0.58209 | 0.728814 |
3 | RZM | 0.551724 | 0.8 |
4 | BQZ | 0.490909 | 0.638298 |
5 | 5QP | 0.47619 | 0.666667 |
6 | BGC GLA GAL | 0.474576 | 0.702128 |
7 | MGL GAL | 0.451613 | 0.673469 |
8 | MBG GLA | 0.45 | 0.673469 |
9 | 9MR | 0.446154 | 0.78 |
10 | RR7 GLC | 0.444444 | 0.708333 |
11 | GAL GLA | 0.442623 | 0.702128 |
12 | MAN BMA BMA | 0.441176 | 0.708333 |
13 | XYS GLC GLC | 0.438356 | 0.723404 |
14 | GLC GLC GLC GLC BGC GLC GLC | 0.4375 | 0.702128 |
15 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.4375 | 0.702128 |
16 | FUC GAL | 0.4375 | 0.666667 |
17 | MAN BMA BMA BMA BMA BMA BMA | 0.4375 | 0.702128 |
18 | BGC XGP | 0.432836 | 0.618182 |
19 | MAN IPD MAN | 0.430769 | 0.618182 |
20 | MBG GAL | 0.428571 | 0.673469 |
21 | LM2 | 0.426667 | 0.677419 |
22 | GPM GLC | 0.426471 | 0.607143 |
23 | BGC OXZ | 0.424242 | 0.709091 |
24 | GLC EDO GLC | 0.424242 | 0.708333 |
25 | IFM BGC | 0.424242 | 0.75 |
26 | GLC G6P | 0.421875 | 0.618182 |
27 | 7D1 MAN | 0.421875 | 0.64 |
28 | AHR FUB | 0.421053 | 0.612245 |
29 | TVD GAL | 0.42029 | 0.811321 |
30 | NAG GAL | 0.42029 | 0.877551 |
31 | NOJ GLC | 0.41791 | 0.803922 |
32 | MAN MNM | 0.41791 | 0.843137 |
33 | NDG GAL | 0.414286 | 0.688525 |
34 | MAN MAN | 0.412698 | 0.666667 |
35 | GCU BGC | 0.411765 | 0.6875 |
36 | IDC | 0.410959 | 0.672131 |
37 | MVL BMA | 0.410959 | 0.672131 |
38 | G2I | 0.410959 | 0.8 |
39 | G3I | 0.410959 | 0.8 |
40 | BGC BGC BGC BGC BGC BGC | 0.409091 | 0.702128 |
41 | GLC BGC BGC BGC | 0.409091 | 0.702128 |
42 | BGC BGC BGC BGC BGC | 0.409091 | 0.702128 |
43 | BGC BGC BGC | 0.409091 | 0.702128 |
44 | FRU BMA | 0.409091 | 0.647059 |
45 | BGC BGC BGC BGC BGC BGC BGC | 0.409091 | 0.702128 |
46 | BGC GAL GLA | 0.405797 | 0.702128 |
47 | GDQ GLC | 0.405797 | 0.773585 |
48 | BGC FUC GAL | 0.402778 | 0.6875 |
49 | GLC BGC FUC GAL | 0.402778 | 0.6875 |
50 | NAG BMA | 0.402778 | 0.862745 |
51 | G2F BGC BGC BGC BGC BGC | 0.402778 | 0.634615 |
52 | G2F SHG BGC BGC | 0.4 | 0.647059 |
53 | BGC 5VQ GAL GLA | 0.4 | 0.647059 |
54 | A2G GAL | 0.4 | 0.877551 |
55 | MGC GAL | 0.4 | 0.843137 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BGC BGC | 0.9896 |
2 | GLC BGC | 0.9815 |
3 | GLC GLC | 0.9809 |
4 | SHG BGC | 0.9792 |
5 | BMA BGC | 0.9720 |
6 | SGC BGC | 0.9693 |
7 | NOY BGC | 0.9654 |
8 | BGC GAL | 0.9600 |
9 | BGC Z9D | 0.9571 |
10 | GCS GCS | 0.9557 |
11 | GLC GAL | 0.9534 |
12 | MGL SGC | 0.9514 |
13 | BMA GAL | 0.9422 |
14 | BMA BMA | 0.9388 |
15 | PA1 GCS | 0.9382 |
16 | MAN BMA | 0.9153 |
17 | FRU GAL | 0.9137 |
18 | ZT2 | 0.9132 |
19 | IFM BMA | 0.9119 |
20 | ISX | 0.9112 |
21 | GAL GC2 | 0.9074 |
22 | GAL NGT | 0.9042 |
23 | NGT GAL | 0.9013 |
24 | 6EN | 0.8989 |
25 | BEM BEM | 0.8982 |
26 | SGC GLC | 0.8981 |
27 | XYP XYP | 0.8966 |
28 | MYG | 0.8953 |
29 | BMA IFM | 0.8905 |
30 | NAG BDP | 0.8856 |
31 | NOK GAL | 0.8840 |
32 | 47N | 0.8829 |
33 | GAL NOK | 0.8824 |
34 | LAM | 0.8819 |
35 | GLO BGC | 0.8815 |
36 | 4WS GAL | 0.8813 |
37 | BGC GLC | 0.8812 |
38 | IXM | 0.8799 |
39 | JRO | 0.8770 |
40 | NFG | 0.8767 |
41 | BMA MVL | 0.8765 |
42 | BNY | 0.8760 |
43 | CZ0 | 0.8750 |
44 | BEM LGU | 0.8748 |
45 | 38E | 0.8746 |
46 | CJZ | 0.8745 |
47 | NAB | 0.8740 |
48 | GWD | 0.8736 |
49 | M3W | 0.8718 |
50 | XYS XYP | 0.8707 |
51 | LOG GAL | 0.8700 |
52 | XYS XYS | 0.8698 |
53 | NAG GC4 | 0.8689 |
54 | 6BK | 0.8686 |
55 | NKH | 0.8662 |
56 | 272 | 0.8645 |
57 | DY9 | 0.8641 |
58 | GAL GAL | 0.8631 |
59 | 9CE | 0.8630 |
60 | AV6 | 0.8619 |
61 | KN1 | 0.8607 |
62 | NDG GAD | 0.8603 |
63 | NAG GCD | 0.8571 |
64 | PNW | 0.8562 |
65 | MHB | 0.8552 |
66 | GLC GLA | 0.8546 |
67 | Q11 | 0.8531 |
68 | GAL NPO | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 2axr.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |