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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 8 families. | |||||
1 | 6GX8 | - | FH2 | C7 H11 F O4 | C1=C([C@@H.... |
2 | 5M16 | - | 7D2 | C8 H14 O5 | C1[C@H]2[C.... |
3 | 5M12 | - | 7D0 | C14 H16 F2 O5 | c1c(cc(cc1.... |
4 | 6GTA | - | F9W | C13 H14 F2 O5 | c1c(cc(cc1.... |
5 | 6GWF | - | FEQ | C13 H13 F N2 O8 | c1cc(c(cc1.... |
6 | 6GVD | - | FDK | C7 H12 O5 | C1=C([C@@H.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 6GX8 | - | FH2 | C7 H11 F O4 | C1=C([C@@H.... |
2 | 5M16 | - | 7D2 | C8 H14 O5 | C1[C@H]2[C.... |
3 | 5M12 | - | 7D0 | C14 H16 F2 O5 | c1c(cc(cc1.... |
4 | 6GTA | - | F9W | C13 H14 F2 O5 | c1c(cc(cc1.... |
5 | 6GWF | - | FEQ | C13 H13 F N2 O8 | c1cc(c(cc1.... |
6 | 6GVD | - | FDK | C7 H12 O5 | C1=C([C@@H.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7D0 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | F9W | 0.9359 |
2 | GAT | 0.9130 |
3 | GAA | 0.9093 |
4 | GLA BEZ | 0.9084 |
5 | 38E | 0.8994 |
6 | MBG GLA | 0.8927 |
7 | GAL GAL | 0.8920 |
8 | BQZ | 0.8913 |
9 | BGC BGC | 0.8847 |
10 | MHD GAL | 0.8803 |
11 | 7NU | 0.8792 |
12 | 5E1 | 0.8784 |
13 | LI4 | 0.8766 |
14 | GAL GLA | 0.8765 |
15 | GLC GAL | 0.8752 |
16 | HMD | 0.8702 |
17 | CZ0 | 0.8700 |
18 | 8HH | 0.8700 |
19 | NBZ GLA | 0.8693 |
20 | ZRL | 0.8692 |
21 | 2QU | 0.8690 |
22 | GNG | 0.8687 |
23 | BGC GAL | 0.8685 |
24 | JRO | 0.8674 |
25 | 553 | 0.8658 |
26 | DXK | 0.8654 |
27 | 5DN | 0.8649 |
28 | 5NN | 0.8647 |
29 | MYG | 0.8646 |
30 | DS8 | 0.8646 |
31 | MAN BMA | 0.8639 |
32 | NAB | 0.8622 |
33 | GWD | 0.8614 |
34 | 3GX | 0.8602 |
35 | U19 | 0.8575 |
36 | DNQ | 0.8570 |
37 | MAN GLC | 0.8563 |
38 | 3WO | 0.8552 |
39 | 3WN | 0.8552 |
40 | 53X | 0.8544 |
41 | XMM | 0.8540 |
This union binding pocket(no: 1) in the query (biounit: 6gvd.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |