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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 | 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 | TPP | 1 | 1 |
2 | V4E | 0.891892 | 1 |
3 | TDP | 0.84 | 0.985714 |
4 | TPS | 0.816901 | 0.957143 |
5 | NDQ | 0.769231 | 0.909091 |
6 | TMV | 0.769231 | 0.958333 |
7 | 2TP | 0.725 | 0.932432 |
8 | VNP | 0.721519 | 0.958904 |
9 | VIB | 0.621622 | 0.75 |
10 | PYI | 0.581395 | 0.887324 |
11 | HTL | 0.566667 | 0.958904 |
12 | TDW | 0.566667 | 0.972222 |
13 | AUJ | 0.55914 | 0.921053 |
14 | N1T | 0.556818 | 0.985714 |
15 | FTP | 0.551724 | 0.835616 |
16 | THV | 0.548387 | 0.958904 |
17 | TPW | 0.546512 | 0.9 |
18 | WWF | 0.542553 | 0.933333 |
19 | TD6 | 0.540816 | 0.921053 |
20 | THY | 0.536842 | 0.945946 |
21 | TOG | 0.536082 | 0.921053 |
22 | TDL | 0.53125 | 0.897436 |
23 | THW | 0.530612 | 0.958904 |
24 | TD9 | 0.53 | 0.921053 |
25 | TD8 | 0.53 | 0.921053 |
26 | TDK | 0.525773 | 0.921053 |
27 | D7K | 0.490566 | 0.909091 |
28 | R1T | 0.489362 | 0.887324 |
29 | S1T | 0.489362 | 0.887324 |
30 | TPU | 0.483146 | 0.842105 |
31 | 5SR | 0.479167 | 0.945205 |
32 | T6F | 0.476636 | 0.897436 |
33 | T5X | 0.476636 | 0.897436 |
34 | 1U0 | 0.474227 | 0.84 |
35 | 8PA | 0.459459 | 0.945946 |
36 | 8EO | 0.457447 | 0.92 |
37 | 8FL | 0.457447 | 0.894737 |
38 | TZD | 0.451613 | 0.883117 |
39 | O2T | 0.45098 | 0.909091 |
40 | TDM | 0.443299 | 0.894737 |
41 | 8EL | 0.442105 | 0.894737 |
42 | G8G | 0.44086 | 0.805195 |
43 | TDN | 0.415842 | 0.871795 |
44 | THD | 0.411765 | 0.839506 |
45 | 8N9 | 0.411765 | 0.839506 |
46 | MP5 | 0.407895 | 0.676056 |
47 | TD7 | 0.40566 | 0.85 |
48 | DPX | 0.4 | 0.734177 |
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 |