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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 | 5A64 | - | V4E | C12 H20 N4 O10 P3 S | Cc1c(sc[n+.... |
2 | 5A65 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5A64 | - | V4E | C12 H20 N4 O10 P3 S | Cc1c(sc[n+.... |
2 | 5A65 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | V4E | 1 | 1 |
2 | TPP | 0.891892 | 1 |
3 | TDP | 0.797468 | 0.985714 |
4 | TPS | 0.773333 | 0.957143 |
5 | TMV | 0.731707 | 0.958333 |
6 | NDQ | 0.690476 | 0.909091 |
7 | VNP | 0.686747 | 0.958904 |
8 | 2TP | 0.670588 | 0.932432 |
9 | VIB | 0.589744 | 0.75 |
10 | N1T | 0.532609 | 0.985714 |
11 | FTP | 0.527473 | 0.835616 |
12 | HTL | 0.526316 | 0.958904 |
13 | TDW | 0.526316 | 0.972222 |
14 | PYI | 0.521739 | 0.887324 |
15 | AUJ | 0.520408 | 0.921053 |
16 | THV | 0.510204 | 0.958904 |
17 | WWF | 0.50505 | 0.933333 |
18 | TD6 | 0.504854 | 0.921053 |
19 | TOG | 0.5 | 0.921053 |
20 | THY | 0.5 | 0.945946 |
21 | TD9 | 0.495238 | 0.921053 |
22 | TD8 | 0.495238 | 0.921053 |
23 | THW | 0.495146 | 0.958904 |
24 | TDL | 0.49505 | 0.897436 |
25 | TDK | 0.490196 | 0.921053 |
26 | TPW | 0.48913 | 0.9 |
27 | 5SR | 0.474747 | 0.945205 |
28 | D7K | 0.459459 | 0.909091 |
29 | R1T | 0.454545 | 0.887324 |
30 | S1T | 0.454545 | 0.887324 |
31 | O2T | 0.447619 | 0.909091 |
32 | T6F | 0.446429 | 0.897436 |
33 | T5X | 0.446429 | 0.897436 |
34 | 1U0 | 0.441176 | 0.84 |
35 | TPU | 0.431579 | 0.842105 |
36 | 8PA | 0.431034 | 0.945946 |
37 | 8FL | 0.424242 | 0.894737 |
38 | 8EO | 0.41 | 0.92 |
39 | TZD | 0.40404 | 0.883117 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5a65.bio2) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5a65.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |