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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 1331 families. | |||||
1 | 4AFK | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
2 | 5D5D | - | 78M | C18 H34 O4 | CCCCCCC/C=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4AFK | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
2 | 5D5D | - | 78M | C18 H34 O4 | CCCCCCC/C=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 78M | 1 | 1 |
2 | 78N | 1 | 1 |
3 | OLC | 0.9375 | 1 |
4 | OLB | 0.9375 | 1 |
5 | 1WV | 0.93617 | 1 |
6 | MVC | 0.897959 | 1 |
7 | GYM | 0.75 | 0.969697 |
8 | EKG | 0.75 | 0.969697 |
9 | 1QW | 0.75 | 0.969697 |
10 | NKP | 0.639344 | 0.688889 |
11 | 1AG | 0.631579 | 1 |
12 | D3D | 0.561644 | 0.733333 |
13 | PGW | 0.561644 | 0.733333 |
14 | DR9 | 0.554054 | 0.733333 |
15 | PGV | 0.554054 | 0.733333 |
16 | P6L | 0.546667 | 0.733333 |
17 | S12 | 0.541667 | 0.627451 |
18 | OZ2 | 0.539474 | 0.733333 |
19 | PGM | 0.53125 | 0.727273 |
20 | P3A | 0.525641 | 0.733333 |
21 | D21 | 0.521739 | 0.652174 |
22 | NKN | 0.491803 | 0.666667 |
23 | NKO | 0.491803 | 0.666667 |
24 | DGA | 0.483333 | 0.828571 |
25 | FAW | 0.483333 | 0.828571 |
26 | L2C | 0.483333 | 0.828571 |
27 | 1EM | 0.483333 | 0.828571 |
28 | DDR | 0.483333 | 0.828571 |
29 | ELA | 0.471698 | 0.617647 |
30 | NER | 0.471698 | 0.617647 |
31 | OLA | 0.471698 | 0.617647 |
32 | MPG | 0.467742 | 0.941176 |
33 | L9Q | 0.467532 | 0.603774 |
34 | 6OU | 0.467532 | 0.603774 |
35 | LOP | 0.467532 | 0.603774 |
36 | RXY | 0.461538 | 0.603774 |
37 | ZPE | 0.455696 | 0.603774 |
38 | BQ9 | 0.452055 | 0.857143 |
39 | VCA | 0.444444 | 0.617647 |
40 | PAM | 0.444444 | 0.617647 |
41 | TGL | 0.440678 | 0.722222 |
42 | 1O2 | 0.440476 | 0.711111 |
43 | B7N | 0.439024 | 0.607843 |
44 | PG8 | 0.438356 | 0.711111 |
45 | PGT | 0.438356 | 0.711111 |
46 | LHG | 0.438356 | 0.711111 |
47 | 3TF | 0.435294 | 0.711111 |
48 | LBR | 0.432836 | 0.805556 |
49 | PVC | 0.430769 | 0.815789 |
50 | 3WM | 0.41791 | 0.885714 |
51 | 2WM | 0.41791 | 0.885714 |
52 | 2WA | 0.41791 | 0.885714 |
53 | RCL | 0.415385 | 0.705882 |
54 | AGA | 0.407895 | 0.711111 |
55 | GP7 | 0.406977 | 0.603774 |
56 | 2JT | 0.403509 | 0.882353 |
57 | G2A | 0.403509 | 0.882353 |
58 | 1L2 | 0.402174 | 0.711111 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | STE | 0.8680 |
This union binding pocket(no: 1) in the query (biounit: 4afk.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |