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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 16 families. | |||||
1 | 1SEH | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
2 | 1DUD | Ki = 15 uM | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
3 | 1SYL | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
4 | 6HDE | Kd = 60.8 nM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
5 | 1RN8 | Kd = 1 uM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
6 | 1RNJ | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
7 | 2HR6 | Kd = 12 uM | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
8 | 2HRM | Kd = 278.5 uM | UC5 | C10 H16 N2 O10 P2 | C1[C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 5NYZ | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
2 | 5CCO | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
3 | 5CCT | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
4 | 4GV8 | Kd = 0.32 uM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
5 | 3EHW | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
6 | 5H4J | Ki = 0.13 uM | FKM | C21 H29 N3 O6 S | C[C@H](c1c.... |
7 | 2HQU | Kd = 7.2 uM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
8 | 3ARA | ic50 = 0.32 uM | MKH | C24 H27 N3 O5 S | c1ccc(cc1).... |
9 | 3ARN | ic50 = 3.9 uM | MSJ | C17 H23 N3 O5 S | CC(C)(CCCO.... |
10 | 3P48 | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
11 | 1Q5H | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
12 | 4OOP | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
13 | 1F7N | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
14 | 1F7Q | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
15 | 1F7P | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
16 | 3F4F | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
17 | 1DUC | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
18 | 1RN8 | Kd = 1 uM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
19 | 1RNJ | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
20 | 2HR6 | Kd = 12 uM | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
21 | 2HRM | Kd = 278.5 uM | UC5 | C10 H16 N2 O10 P2 | C1[C@@H]([.... |
22 | 6LJJ | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
23 | 2OL0 | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
24 | 2OKE | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
25 | 2OL1 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
26 | 3LOJ | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
27 | 1SMC | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | UC5 | 1 | 1 |
2 | UMP | 0.772727 | 0.970588 |
3 | DU | 0.772727 | 0.970588 |
4 | DUD | 0.71831 | 0.985294 |
5 | DUN | 0.69863 | 0.957143 |
6 | DUT | 0.68 | 0.985294 |
7 | DUT MG | 0.671053 | 0.927536 |
8 | DUP | 0.671053 | 0.957143 |
9 | DUS | 0.642857 | 0.831169 |
10 | UMP AF3 PO4 | 0.632911 | 0.853333 |
11 | DUR | 0.606061 | 0.855072 |
12 | 44P | 0.573333 | 0.942857 |
13 | UM3 | 0.52 | 0.927536 |
14 | DDN | 0.506494 | 0.970588 |
15 | DU DU DU DU BRU DU DU | 0.490196 | 0.842105 |
16 | DDU | 0.485714 | 0.732394 |
17 | DU3 | 0.45977 | 0.783784 |
18 | DUA | 0.45977 | 0.786667 |
19 | UFP | 0.45679 | 0.90411 |
20 | U5P | 0.455696 | 0.885714 |
21 | U | 0.455696 | 0.885714 |
22 | TMP | 0.451219 | 0.929577 |
23 | BRU | 0.451219 | 0.90411 |
24 | 5HU | 0.451219 | 0.943662 |
25 | DU4 | 0.449438 | 0.74026 |
26 | 5IU | 0.445783 | 0.90411 |
27 | UDP | 0.440476 | 0.9 |
28 | DCM | 0.433735 | 0.902778 |
29 | DC | 0.433735 | 0.902778 |
30 | TYD | 0.425287 | 0.943662 |
31 | UTP | 0.425287 | 0.9 |
32 | U5F | 0.420455 | 0.9 |
33 | Y6W | 0.416667 | 0.878378 |
34 | BVP | 0.41573 | 0.916667 |
35 | UNP | 0.411111 | 0.875 |
36 | YYY | 0.409091 | 0.916667 |
37 | UDX | 0.408163 | 0.875 |
38 | UAD | 0.408163 | 0.875 |
39 | UDP UDP | 0.406977 | 0.84507 |
40 | TTP | 0.406593 | 0.943662 |
41 | 2KH | 0.404494 | 0.875 |
42 | TTP MG | 0.402174 | 0.888889 |
43 | UPU | 0.402174 | 0.847222 |
This union binding pocket(no: 3) in the query (biounit: 6hde.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6KZ6 | UMP | 32.2581 |
2 | 6KZ6 | UMP | 32.2581 |