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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 19 families. | |||||
1 | 1V0M | - | XDN XYP | n/a | n/a |
2 | 1V0N | - | XIF XYP | n/a | n/a |
3 | 1V0K | Ki = 40 uM | XYP XDN | n/a | n/a |
4 | 1V0L | Ki = 480 nM | XIF XYP | n/a | n/a |
5 | 1OD8 | - | XDL XYP | n/a | n/a |
6 | 3W25 | - | XYP XYP | n/a | n/a |
7 | 3W27 | - | XYS XYP | n/a | n/a |
8 | 3W26 | - | XYP XYP XYP | n/a | n/a |
9 | 3W29 | - | XYS XYP XYP XYP | n/a | n/a |
10 | 3W28 | - | XYS XYP XYP | n/a | n/a |
11 | 1B30 | - | XYP XYP XYP | n/a | n/a |
12 | 1B3V | - | XYS | C5 H10 O5 | C1[C@H]([C.... |
13 | 1B3Y | - | XYS | C5 H10 O5 | C1[C@H]([C.... |
14 | 1B3X | - | XYP XYP XYP | n/a | n/a |
15 | 1B3Z | - | XYP XYP XYP | n/a | n/a |
16 | 1ISY | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
17 | 1V6W | - | XYP XYP | n/a | n/a |
18 | 1ISX | - | XYP XYP | n/a | n/a |
19 | 1ISZ | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
20 | 1V6U | - | XYP XYP | n/a | n/a |
21 | 1V6X | - | XYP XYP | n/a | n/a |
22 | 1V6V | - | XYP XYP | n/a | n/a |
23 | 2D24 | - | XYS XYS | n/a | n/a |
24 | 2D23 | - | XYS AZI XYS | n/a | n/a |
25 | 1IT0 | - | BGC GAL | n/a | n/a |
26 | 1ISW | - | XYP XYP | n/a | n/a |
27 | 2D20 | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
28 | 1ISV | - | XYP | C5 H10 O5 | C1[C@H]([C.... |
29 | 3EMZ | - | HXH | C19 H21 N O4 | c1ccc(cc1).... |
30 | 3WUE | - | XYP | C5 H10 O5 | C1[C@H]([C.... |
31 | 3WUG | - | XYP | C5 H10 O5 | C1[C@H]([C.... |
32 | 1FH7 | Ki = 5.8 uM | XYP XDN | n/a | n/a |
33 | 1FHD | Ki = 0.15 uM | XYP XIM | n/a | n/a |
34 | 1FH8 | Ki = 0.13 uM | XYP XIF | n/a | n/a |
35 | 1J01 | Ki = 0.34 uM | XIL | C10 H17 N O7 | C1CNC(=O)[.... |
36 | 1FH9 | Ki = 0.37 uM | LOX XYP | n/a | n/a |
37 | 5D4Y | - | XYP XYP | n/a | n/a |
38 | 2FGL | - | XYS XYS | n/a | n/a |
39 | 3NJ3 | - | XYP XYP | n/a | n/a |
40 | 1VBR | - | XYP XYS | n/a | n/a |
41 | 2BNJ | - | XYP XYP AHR FER | n/a | n/a |
42 | 7K4X | Kd = 13.04 uM | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
43 | 5RGA | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
44 | 7K4Z | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
45 | 1GOR | - | XYS XYP | n/a | n/a |
46 | 7K4Q | Kd = 372.5 uM | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
47 | 5RGD | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
48 | 7K4U | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
49 | 5RGC | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
50 | 4BS0 | Ki = 2 uM | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
51 | 3NYD | - | 3NY | C6 H4 N4 O2 | c1cc2c(cc1.... |
52 | 5RGB | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
53 | 5RGE | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
54 | 1GOQ | - | XYP XYP | n/a | n/a |
55 | 5RGF | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
56 | 1UQY | - | XYP XYP XYP XYP | n/a | n/a |
57 | 1UR1 | - | XYS XYP AHR | n/a | n/a |
58 | 1UQZ | - | XYP XYP XYP GCV | n/a | n/a |
59 | 3RDK | - | XYS XYP XYP GCV | n/a | n/a |
60 | 5OFK | - | XYP XYP XYP XYP XYP XYP XYP | n/a | n/a |
61 | 5OFL | Ka = 17500 M^-1 | BGC BGC BGC BGC BGC BGC | n/a | n/a |
62 | 1R87 | - | XYP XYP | n/a | n/a |
63 | 1HIZ | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | XYP XYP XYP XYP XYP XYP | 1 | 1 |
2 | XYP XYP XYP XYP XYP XYP XYP | 1 | 1 |
3 | XYP XYP XYP XYP XYP | 1 | 1 |
4 | XYS XYS XYS | 0.791667 | 0.969697 |
5 | XYP XYP XYP AHR XYP | 0.636364 | 0.888889 |
6 | XYP XYP XYP XYP | 0.622642 | 0.941176 |
7 | XYP XYP AHR XYP | 0.590909 | 0.888889 |
8 | XYP XYP XYP AHR | 0.575758 | 0.888889 |
9 | XYS AHR XYP XYP XYP | 0.560606 | 0.888889 |
10 | XYP XYP XYP | 0.559322 | 0.969697 |
11 | XYS XYS | 0.511111 | 0.939394 |
12 | XYP TRS XYP | 0.508197 | 0.711111 |
13 | XYP XYP GCV XYP | 0.506494 | 0.888889 |
14 | XYS AZI XYS | 0.5 | 0.653061 |
15 | XYP XYP XYP GCV | 0.493506 | 0.888889 |
16 | XYP XYP | 0.490566 | 0.911765 |
17 | XYS XYS AHR | 0.484848 | 0.888889 |
18 | XYP XYP AHR | 0.484848 | 0.888889 |
19 | XYS NPO XYS | 0.455882 | 0.615385 |
20 | XYP XIF | 0.438596 | 0.659574 |
21 | XYP XDN | 0.438596 | 0.704545 |
22 | XYP XYP GCV | 0.415584 | 0.888889 |
No: | Ligand | Similarity coefficient |
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