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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 3SWG | - | EPZ | C20 H31 N3 O19 P2 | C[C@H](C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2RL1 | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
2 | 3SWE | - | EPZ | C20 H31 N3 O19 P2 | C[C@H](C(=.... |
3 | 2RL2 | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
4 | 3ZH4 | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
5 | 1DLG | - | HAI | C6 H14 N | C1CCC(CC1).... |
6 | 3SWA | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
7 | 3KR6 | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
8 | 3UPK | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
9 | 3V4T | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
10 | 3SU9 | - | EPZ | C20 H31 N3 O19 P2 | C[C@H](C(=.... |
11 | 1RYW | - | EPU | C20 H29 N3 O19 P2 | CC(=O)N[C@.... |
12 | 3ISS | - | EPU | C20 H29 N3 O19 P2 | CC(=O)N[C@.... |
13 | 3SWD | - | EPZ | C20 H31 N3 O19 P2 | C[C@H](C(=.... |
14 | 1EYN | Kd = 40.8 uM | 2AN | C16 H13 N O3 S | c1ccc(cc1).... |
15 | 1UAE | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
16 | 3LTH | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
17 | 3SWQ | - | EPU | C20 H29 N3 O19 P2 | CC(=O)N[C@.... |
18 | 3SWG | - | EPZ | C20 H31 N3 O19 P2 | C[C@H](C(=.... |
19 | 3VCY | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EPZ | 1 | 1 |
2 | EEB | 0.873786 | 0.985714 |
3 | UMA | 0.861111 | 1 |
4 | EPU | 0.770642 | 0.957747 |
5 | UD1 | 0.75 | 0.985507 |
6 | UD2 | 0.75 | 0.985507 |
7 | UAG | 0.75 | 0.945205 |
8 | HP7 | 0.688073 | 0.971014 |
9 | UML | 0.683824 | 0.884615 |
10 | U21 | 0.682927 | 0.884615 |
11 | U20 | 0.682927 | 0.884615 |
12 | MJZ | 0.681818 | 0.943662 |
13 | UD7 | 0.672727 | 0.985507 |
14 | F5G | 0.660714 | 0.985507 |
15 | UPG | 0.650485 | 0.971014 |
16 | UFM | 0.650485 | 0.971014 |
17 | GDU | 0.650485 | 0.971014 |
18 | UD4 | 0.646018 | 0.971429 |
19 | F5P | 0.646018 | 0.971429 |
20 | UDZ | 0.637931 | 0.881579 |
21 | UGA | 0.62037 | 0.956522 |
22 | UGB | 0.62037 | 0.956522 |
23 | U22 | 0.617188 | 0.8625 |
24 | UPF | 0.616822 | 0.917808 |
25 | U2F | 0.616822 | 0.917808 |
26 | AWU | 0.613208 | 0.971014 |
27 | UFG | 0.601852 | 0.917808 |
28 | UDX | 0.601852 | 0.942857 |
29 | UAD | 0.601852 | 0.942857 |
30 | UGF | 0.6 | 0.90411 |
31 | UDM | 0.59292 | 0.943662 |
32 | 12V | 0.589744 | 0.930556 |
33 | HWU | 0.589744 | 0.930556 |
34 | USQ | 0.576577 | 0.825 |
35 | UDP | 0.56 | 0.914286 |
36 | UTP | 0.558824 | 0.914286 |
37 | G3N | 0.557522 | 0.916667 |
38 | U5F | 0.553398 | 0.914286 |
39 | UD0 | 0.546099 | 0.871795 |
40 | URM | 0.545455 | 0.929577 |
41 | 660 | 0.545455 | 0.929577 |
42 | UPU | 0.53271 | 0.942029 |
43 | 4RA | 0.531915 | 0.883117 |
44 | IUG | 0.528455 | 0.814815 |
45 | UNP | 0.528302 | 0.888889 |
46 | 3UC | 0.525862 | 0.917808 |
47 | UAG API | 0.522876 | 0.883117 |
48 | UPP | 0.508929 | 0.915493 |
49 | 491 | 0.5 | 0.728571 |
50 | U5P | 0.5 | 0.9 |
51 | U | 0.5 | 0.9 |
52 | UDH | 0.495575 | 0.844156 |
53 | UDP GAL | 0.491379 | 0.942857 |
54 | UMA FGA LYS DAL DAL | 0.484663 | 0.85 |
55 | 2KH | 0.481481 | 0.888889 |
56 | 2QR | 0.471831 | 0.85 |
57 | 44P | 0.471154 | 0.876712 |
58 | C5G | 0.462185 | 0.917808 |
59 | Y6W | 0.461538 | 0.891892 |
60 | UDP UDP | 0.457944 | 0.885714 |
61 | 2GW | 0.456 | 0.930556 |
62 | UP5 | 0.439394 | 0.833333 |
63 | 1GW | 0.431818 | 0.893333 |
64 | URI | 0.428571 | 0.84058 |
65 | 4TC | 0.422222 | 0.8125 |
66 | CSQ | 0.417323 | 0.855263 |
67 | CSV | 0.417323 | 0.855263 |
68 | PMP UD1 | 0.417219 | 0.860759 |
69 | LSU | 0.416667 | 0.744186 |
70 | CJB | 0.415842 | 0.826087 |
71 | CXY | 0.41129 | 0.891892 |
72 | FZK | 0.40678 | 0.761905 |
73 | UA3 | 0.40566 | 0.885714 |
74 | U3P | 0.40566 | 0.885714 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 3swg.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |