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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 | 4WN5 | - | MVC | C21 H40 O4 | CCCCCC/C=C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4WN5 | - | MVC | C21 H40 O4 | CCCCCC/C=C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MVC | 1 | 1 |
2 | OLB | 0.958333 | 1 |
3 | OLC | 0.958333 | 1 |
4 | 1WV | 0.916667 | 1 |
5 | 78M | 0.897959 | 1 |
6 | 78N | 0.897959 | 1 |
7 | 1QW | 0.770833 | 0.969697 |
8 | EKG | 0.770833 | 0.969697 |
9 | GYM | 0.770833 | 0.969697 |
10 | NKP | 0.655738 | 0.688889 |
11 | 1AG | 0.62069 | 1 |
12 | DR9 | 0.589041 | 0.733333 |
13 | PGV | 0.589041 | 0.733333 |
14 | PGW | 0.575342 | 0.733333 |
15 | D3D | 0.575342 | 0.733333 |
16 | OZ2 | 0.573333 | 0.733333 |
17 | P6L | 0.56 | 0.733333 |
18 | P3A | 0.558442 | 0.733333 |
19 | S12 | 0.555556 | 0.627451 |
20 | PGM | 0.546875 | 0.727273 |
21 | D21 | 0.536232 | 0.652174 |
22 | PAM | 0.519231 | 0.617647 |
23 | VCA | 0.519231 | 0.617647 |
24 | NKN | 0.508197 | 0.666667 |
25 | NKO | 0.508197 | 0.666667 |
26 | DDR | 0.5 | 0.828571 |
27 | DGA | 0.5 | 0.828571 |
28 | FAW | 0.5 | 0.828571 |
29 | L2C | 0.5 | 0.828571 |
30 | 1EM | 0.5 | 0.828571 |
31 | RXY | 0.493506 | 0.603774 |
32 | ELA | 0.490566 | 0.617647 |
33 | OLA | 0.490566 | 0.617647 |
34 | NER | 0.490566 | 0.617647 |
35 | ZPE | 0.487179 | 0.603774 |
36 | LOP | 0.480519 | 0.603774 |
37 | 6OU | 0.480519 | 0.603774 |
38 | L9Q | 0.480519 | 0.603774 |
39 | BQ9 | 0.465753 | 0.857143 |
40 | 3TF | 0.464286 | 0.711111 |
41 | MPG | 0.460317 | 0.941176 |
42 | TGL | 0.457627 | 0.722222 |
43 | RCL | 0.453125 | 0.705882 |
44 | 1O2 | 0.452381 | 0.711111 |
45 | PGT | 0.452055 | 0.711111 |
46 | LHG | 0.452055 | 0.711111 |
47 | B7N | 0.451219 | 0.607843 |
48 | LBR | 0.447761 | 0.805556 |
49 | PVC | 0.446154 | 0.815789 |
50 | PG8 | 0.432432 | 0.711111 |
51 | VA | 0.431034 | 0.617647 |
52 | 2JT | 0.421053 | 0.882353 |
53 | G2A | 0.421053 | 0.882353 |
54 | GP7 | 0.418605 | 0.603774 |
55 | 1L2 | 0.413043 | 0.711111 |
56 | 2WM | 0.411765 | 0.885714 |
57 | 3WM | 0.411765 | 0.885714 |
58 | 2WA | 0.411765 | 0.885714 |
59 | PGK | 0.409639 | 0.666667 |
60 | F57 | 0.405797 | 0.630435 |
61 | 7PH | 0.405797 | 0.630435 |
62 | LPP | 0.405797 | 0.630435 |
63 | 3PH | 0.405797 | 0.630435 |
64 | 6PH | 0.405797 | 0.630435 |
65 | AGA | 0.402597 | 0.711111 |
66 | PX2 | 0.4 | 0.608696 |
67 | 7P9 | 0.4 | 0.630435 |
68 | PX8 | 0.4 | 0.608696 |
69 | EIC | 0.4 | 0.647059 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4wn5.bio2) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4wn5.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |