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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 3 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 | 1DLG | - | HAI | C6 H14 N | C1CCC(CC1).... |
5 | 3SWA | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
6 | 3KR6 | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
7 | 3UPK | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
8 | 3V4T | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
9 | 3SU9 | - | EPZ | C20 H31 N3 O19 P2 | C[C@H](C(=.... |
10 | 1RYW | - | EPU | C20 H29 N3 O19 P2 | CC(=O)N[C@.... |
11 | 3ISS | - | EPU | C20 H29 N3 O19 P2 | CC(=O)N[C@.... |
12 | 3SWD | - | EPZ | C20 H31 N3 O19 P2 | C[C@H](C(=.... |
13 | 1EYN | Kd = 40.8 uM | 2AN | C16 H13 N O3 S | c1ccc(cc1).... |
14 | 1UAE | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
15 | 3LTH | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
16 | 3SWQ | - | EPU | C20 H29 N3 O19 P2 | CC(=O)N[C@.... |
17 | 3VCY | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[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 | UD2 | 1 | 1 |
2 | UD1 | 1 | 1 |
3 | UDZ | 0.8 | 0.893333 |
4 | HP7 | 0.793814 | 0.985294 |
5 | EPZ | 0.75 | 0.985507 |
6 | EEB | 0.742857 | 0.971429 |
7 | EPU | 0.742857 | 0.971429 |
8 | F5P | 0.742574 | 0.957143 |
9 | F5G | 0.742574 | 0.971014 |
10 | UD4 | 0.742574 | 0.957143 |
11 | UPG | 0.73913 | 0.985294 |
12 | GDU | 0.73913 | 0.985294 |
13 | UFM | 0.73913 | 0.985294 |
14 | UD7 | 0.722772 | 0.971014 |
15 | MJZ | 0.715686 | 0.957143 |
16 | UPF | 0.697917 | 0.930556 |
17 | U2F | 0.697917 | 0.930556 |
18 | UMA | 0.690265 | 0.985507 |
19 | UDM | 0.683168 | 0.957143 |
20 | UFG | 0.663265 | 0.930556 |
21 | HWU | 0.660377 | 0.943662 |
22 | 12V | 0.660377 | 0.943662 |
23 | AWU | 0.659794 | 0.985294 |
24 | U20 | 0.655462 | 0.871795 |
25 | U21 | 0.655462 | 0.871795 |
26 | U22 | 0.655462 | 0.85 |
27 | UGA | 0.65 | 0.970588 |
28 | UGB | 0.65 | 0.970588 |
29 | USQ | 0.633663 | 0.835443 |
30 | UAD | 0.63 | 0.956522 |
31 | UDX | 0.63 | 0.956522 |
32 | UGF | 0.627451 | 0.916667 |
33 | UDP | 0.622222 | 0.927536 |
34 | UTP | 0.619565 | 0.927536 |
35 | UAG | 0.617188 | 0.931507 |
36 | U5F | 0.612903 | 0.927536 |
37 | URM | 0.6 | 0.942857 |
38 | 660 | 0.6 | 0.942857 |
39 | G3N | 0.596154 | 0.929577 |
40 | UPU | 0.587629 | 0.955882 |
41 | 4RA | 0.584615 | 0.87013 |
42 | UNP | 0.583333 | 0.901408 |
43 | 3UC | 0.575472 | 0.930556 |
44 | UML | 0.564286 | 0.871795 |
45 | IUG | 0.561404 | 0.825 |
46 | U5P | 0.555556 | 0.913043 |
47 | U | 0.555556 | 0.913043 |
48 | UDP GAL | 0.552381 | 0.956522 |
49 | UD0 | 0.552239 | 0.858974 |
50 | UPP | 0.543689 | 0.928571 |
51 | UDH | 0.543689 | 0.855263 |
52 | 2KH | 0.530612 | 0.901408 |
53 | 44P | 0.521277 | 0.888889 |
54 | C5G | 0.518519 | 0.930556 |
55 | UDP UDP | 0.505155 | 0.898551 |
56 | Y6W | 0.504673 | 0.90411 |
57 | 2QR | 0.485075 | 0.860759 |
58 | 2GW | 0.482759 | 0.943662 |
59 | URI | 0.477273 | 0.852941 |
60 | UP5 | 0.47541 | 0.844156 |
61 | PMP UD1 | 0.467626 | 0.848101 |
62 | 1GW | 0.467213 | 0.905405 |
63 | CJB | 0.461538 | 0.838235 |
64 | UAG API | 0.457516 | 0.87013 |
65 | 4TC | 0.456 | 0.822785 |
66 | CSQ | 0.452991 | 0.866667 |
67 | CSV | 0.452991 | 0.866667 |
68 | U3P | 0.447917 | 0.898551 |
69 | UA3 | 0.447917 | 0.898551 |
70 | GN1 | 0.444444 | 0.753623 |
71 | NG1 | 0.444444 | 0.753623 |
72 | C30 | 0.433628 | 0.696203 |
73 | Q5S | 0.433628 | 0.696203 |
74 | FZK | 0.431193 | 0.771084 |
75 | PUP | 0.429825 | 0.875 |
76 | LSU | 0.428571 | 0.732558 |
77 | CXY | 0.422414 | 0.90411 |
78 | U2P | 0.418367 | 0.913043 |
79 | UMA FGA LYS DAL DAL | 0.414634 | 0.8375 |
80 | U1S | 0.409091 | 0.789474 |
81 | FN5 | 0.40458 | 0.883117 |
82 | YSU | 0.403361 | 0.741176 |
83 | DAU | 0.403361 | 0.905405 |
This union binding pocket(no: 1) in the query (biounit: 1eyn.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |