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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 1 families. | |||||
1 | 2APC | Ki = 28 uM | UDM | C18 H29 N3 O16 P2 | CC(=O)N[C@.... |
2 | 2AM4 | Ki = 190 uM | U2F | C15 H23 F N2 O16 P2 | C1=CN(C(=O.... |
3 | 2AM3 | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
4 | 1FOA | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
5 | 2AM5 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2APC | Ki = 28 uM | UDM | C18 H29 N3 O16 P2 | CC(=O)N[C@.... |
2 | 2AM4 | Ki = 190 uM | U2F | C15 H23 F N2 O16 P2 | C1=CN(C(=O.... |
3 | 2AM3 | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
4 | 1FOA | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
5 | 2AM5 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | UDM | 1 | 1 |
2 | URM | 0.755556 | 0.985507 |
3 | 660 | 0.755556 | 0.985507 |
4 | UD1 | 0.683168 | 0.957143 |
5 | UD2 | 0.683168 | 0.957143 |
6 | UDP | 0.636364 | 0.914286 |
7 | HP7 | 0.622642 | 0.942857 |
8 | UPU | 0.617021 | 0.942029 |
9 | UTP | 0.615385 | 0.914286 |
10 | HWU | 0.611111 | 0.930556 |
11 | 12V | 0.611111 | 0.930556 |
12 | U5F | 0.608696 | 0.914286 |
13 | MJZ | 0.601852 | 0.916667 |
14 | UPG | 0.59596 | 0.942857 |
15 | UFM | 0.59596 | 0.942857 |
16 | GDU | 0.59596 | 0.942857 |
17 | UNP | 0.595745 | 0.888889 |
18 | EPZ | 0.59292 | 0.943662 |
19 | UD7 | 0.592593 | 0.929577 |
20 | EEB | 0.587719 | 0.930556 |
21 | EPU | 0.587719 | 0.930556 |
22 | F5G | 0.581818 | 0.929577 |
23 | UD4 | 0.581818 | 0.916667 |
24 | F5P | 0.581818 | 0.916667 |
25 | UDZ | 0.575221 | 0.857143 |
26 | U5P | 0.568182 | 0.9 |
27 | U | 0.568182 | 0.9 |
28 | UGA | 0.567308 | 0.928571 |
29 | UGB | 0.567308 | 0.928571 |
30 | U2F | 0.563107 | 0.891892 |
31 | UPF | 0.563107 | 0.891892 |
32 | AWU | 0.558824 | 0.942857 |
33 | Y6W | 0.558824 | 0.944444 |
34 | UPP | 0.554455 | 0.915493 |
35 | 44P | 0.549451 | 0.902778 |
36 | UMA | 0.54918 | 0.943662 |
37 | UFG | 0.548077 | 0.891892 |
38 | UGF | 0.54717 | 0.878378 |
39 | 2KH | 0.541667 | 0.888889 |
40 | UDH | 0.539216 | 0.893333 |
41 | USQ | 0.537736 | 0.825 |
42 | UAD | 0.533333 | 0.942857 |
43 | UDX | 0.533333 | 0.942857 |
44 | 3UC | 0.527778 | 0.891892 |
45 | U22 | 0.523438 | 0.8625 |
46 | U20 | 0.523438 | 0.884615 |
47 | U21 | 0.523438 | 0.884615 |
48 | UDP GAL | 0.518868 | 0.915493 |
49 | G3N | 0.518519 | 0.916667 |
50 | UDP UDP | 0.515789 | 0.885714 |
51 | 4TC | 0.5 | 0.835443 |
52 | UAG | 0.49635 | 0.918919 |
53 | URI | 0.488372 | 0.84058 |
54 | UP5 | 0.483333 | 0.833333 |
55 | CSV | 0.473684 | 0.855263 |
56 | CSQ | 0.473684 | 0.855263 |
57 | U3P | 0.473118 | 0.885714 |
58 | UA3 | 0.473118 | 0.885714 |
59 | CJB | 0.47191 | 0.826087 |
60 | UD0 | 0.471429 | 0.825 |
61 | 4RA | 0.467626 | 0.835443 |
62 | IUG | 0.466667 | 0.792683 |
63 | UML | 0.456376 | 0.884615 |
64 | FZK | 0.45283 | 0.783133 |
65 | 2QR | 0.437956 | 0.85 |
66 | PUP | 0.4375 | 0.915493 |
67 | LSU | 0.436364 | 0.744186 |
68 | U1S | 0.429907 | 0.779221 |
69 | PMP UD1 | 0.422535 | 0.814815 |
70 | YSU | 0.422414 | 0.752941 |
71 | 0RC | 0.416667 | 0.868421 |
72 | 7XL | 0.416667 | 0.891892 |
73 | U2P | 0.412371 | 0.9 |
74 | C5G | 0.408696 | 0.891892 |
75 | UAG API | 0.407643 | 0.883117 |
76 | U4S | 0.40404 | 0.736842 |
77 | CDP | 0.403846 | 0.864865 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2apc.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |