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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 1 families. | |||||
1 | 1P6D | Ki = 1.15 mM | 3PC | C21 H42 N O7 P | CCCCCC(=O).... |
2 | 1P6E | Ki = 1.21 mM | PC5 | C18 H36 N O6 P S2 | CCCCC(=O)O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1P6D | Ki = 1.15 mM | 3PC | C21 H42 N O7 P | CCCCCC(=O).... |
2 | 1P6E | Ki = 1.21 mM | PC5 | C18 H36 N O6 P S2 | CCCCC(=O)O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3PC | 1 | 1 |
2 | HXG | 0.581081 | 0.90566 |
3 | MC3 | 0.564103 | 0.979592 |
4 | PC1 | 0.564103 | 0.979592 |
5 | PCF | 0.564103 | 0.979592 |
6 | XP5 | 0.545455 | 0.90566 |
7 | PC7 | 0.531646 | 0.90566 |
8 | HGX | 0.531646 | 0.90566 |
9 | LIO | 0.531646 | 0.90566 |
10 | 6PL | 0.531646 | 0.90566 |
11 | PX4 | 0.531646 | 0.90566 |
12 | PLD | 0.531646 | 0.90566 |
13 | HGP | 0.531646 | 0.90566 |
14 | POV | 0.505747 | 0.96 |
15 | LBN | 0.505747 | 0.96 |
16 | L9R | 0.505747 | 0.96 |
17 | DLP | 0.494505 | 0.96 |
18 | PCK | 0.483146 | 0.857143 |
19 | PCW | 0.477273 | 0.888889 |
20 | 44E | 0.472222 | 0.666667 |
21 | PA8 | 0.466667 | 0.711538 |
22 | PX8 | 0.460526 | 0.711538 |
23 | PX2 | 0.460526 | 0.711538 |
24 | PSC | 0.457447 | 0.888889 |
25 | PC5 | 0.45 | 0.867925 |
26 | LP3 | 0.444444 | 0.872727 |
27 | LAP | 0.444444 | 0.872727 |
28 | LPC | 0.444444 | 0.872727 |
29 | K6G | 0.444444 | 0.872727 |
30 | PD7 | 0.44 | 0.666667 |
31 | CDL | 0.439024 | 0.72549 |
32 | PG8 | 0.433735 | 0.672727 |
33 | LPP | 0.428571 | 0.666667 |
34 | 6PH | 0.428571 | 0.666667 |
35 | 7PH | 0.428571 | 0.666667 |
36 | 3PH | 0.428571 | 0.666667 |
37 | F57 | 0.428571 | 0.666667 |
38 | 7P9 | 0.423077 | 0.666667 |
39 | PTY | 0.421687 | 0.706897 |
40 | 8PE | 0.421687 | 0.706897 |
41 | PEV | 0.421687 | 0.706897 |
42 | PEH | 0.421687 | 0.706897 |
43 | 3PE | 0.421687 | 0.706897 |
44 | PEF | 0.421687 | 0.706897 |
45 | 44G | 0.419753 | 0.642857 |
46 | 9PE | 0.416667 | 0.706897 |
47 | 8ND | 0.410256 | 0.611111 |
48 | PSF | 0.409639 | 0.689655 |
49 | AGA | 0.406977 | 0.672727 |
50 | 42H | 0.4 | 0.857143 |
51 | M7U | 0.4 | 0.666667 |
52 | PEE | 0.4 | 0.724138 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 1p6d.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |