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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 261 families. | |||||
1 | 5BK7 | - | EQJ | C14 H22 N5 O7 P | [H]/N=C(/N.... |
2 | 6C9B | - | EGV | C6 H11 N3 O4 | [H]/N=C(/N.... |
3 | 5DJ3 | - | 5DK | C14 H22 N5 O7 P | [H]/N=C(N).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 5BK7 | - | EQJ | C14 H22 N5 O7 P | [H]/N=C(/N.... |
2 | 6C9B | - | EGV | C6 H11 N3 O4 | [H]/N=C(/N.... |
3 | 5DJ3 | - | 5DK | C14 H22 N5 O7 P | [H]/N=C(N).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EQJ | 1 | 1 |
2 | 5DK | 1 | 1 |
3 | PL5 | 0.7125 | 0.903226 |
4 | PL6 | 0.679487 | 0.854839 |
5 | KOU | 0.671053 | 0.84127 |
6 | PUS | 0.630952 | 0.8 |
7 | F0G | 0.615385 | 0.806452 |
8 | P70 | 0.593023 | 0.809524 |
9 | EPC | 0.584416 | 0.774194 |
10 | FEJ | 0.571429 | 0.769231 |
11 | 0JO | 0.5625 | 0.784615 |
12 | Q0P | 0.55914 | 0.80303 |
13 | Z98 | 0.552941 | 0.904762 |
14 | PLT | 0.53125 | 0.776119 |
15 | SER PLP | 0.529412 | 0.793651 |
16 | 4LM | 0.52439 | 0.769231 |
17 | 6DF | 0.523256 | 0.734375 |
18 | FEV | 0.511905 | 0.757576 |
19 | EVM | 0.505882 | 0.828125 |
20 | P3D | 0.488372 | 0.888889 |
21 | PLP PHE | 0.484211 | 0.75 |
22 | PFM | 0.483146 | 0.8125 |
23 | MPM | 0.482353 | 0.765625 |
24 | EXT | 0.481928 | 0.83871 |
25 | FOO | 0.481928 | 0.793651 |
26 | PLP ALO | 0.47191 | 0.75 |
27 | AN7 | 0.46988 | 0.730159 |
28 | PLP 999 | 0.466667 | 0.75 |
29 | PLP PVH | 0.464646 | 0.732394 |
30 | P89 | 0.463158 | 0.757143 |
31 | PLP | 0.460526 | 0.725806 |
32 | LUK | 0.458333 | 0.72973 |
33 | LUH | 0.458333 | 0.72973 |
34 | HCP | 0.454545 | 0.784615 |
35 | PZP | 0.454545 | 0.758065 |
36 | PL2 | 0.445652 | 0.878788 |
37 | PLP ABU | 0.434783 | 0.809524 |
38 | GLY PLP | 0.431818 | 0.761905 |
39 | 3QP | 0.426966 | 0.758065 |
40 | O1G | 0.424242 | 0.714286 |
41 | KET | 0.423913 | 0.828125 |
42 | PLP MYB | 0.415842 | 0.689189 |
43 | PLP PUT | 0.413043 | 0.857143 |
44 | PLS | 0.406593 | 0.818182 |
45 | ORX | 0.40625 | 0.863636 |
46 | C6P | 0.402174 | 0.818182 |
47 | PE1 | 0.402062 | 0.863636 |
48 | LPI | 0.4 | 0.763889 |
49 | PP3 | 0.4 | 0.776119 |
50 | PDA | 0.4 | 0.776119 |
51 | PDD | 0.4 | 0.776119 |
52 | QLP | 0.4 | 0.8 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LJS | 0.8596 |
This union binding pocket(no: 1) in the query (biounit: 6c9b.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |