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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 1331 families. | |||||
1 | 4O9G | - | T46 | C16 H24 N2 O15 P2 | C[C@@H]1C(.... |
2 | 4ZU7 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
3 | 4O9E | - | TDR | C5 H6 N2 O2 | CC1=CNC(=O.... |
4 | 4ZU5 | - | THM | C10 H14 N2 O5 | CC1=CN(C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 4ZU4 | - | 4TG | C17 H27 N3 O15 P2 | C[C@@H]1[C.... |
2 | 2PA7 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
3 | 2PAM | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
4 | 2PAK | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
5 | 2PAE | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
6 | 5TPU | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
7 | 4O9G | - | T46 | C16 H24 N2 O15 P2 | C[C@@H]1C(.... |
8 | 4ZU7 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
9 | 4O9E | - | TDR | C5 H6 N2 O2 | CC1=CNC(=O.... |
10 | 4ZU5 | - | THM | C10 H14 N2 O5 | CC1=CN(C(=.... |
11 | 5TPV | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | T46 | 1 | 1 |
2 | TRH | 0.734043 | 1 |
3 | 1JB | 0.734043 | 1 |
4 | 18T | 0.734043 | 1 |
5 | T3F | 0.71875 | 0.973333 |
6 | T3Q | 0.71875 | 0.973333 |
7 | DAU | 0.708333 | 0.972973 |
8 | MMF | 0.704082 | 0.973333 |
9 | 0FX | 0.704082 | 0.973333 |
10 | TDX | 0.697917 | 0.986301 |
11 | QDM | 0.69 | 0.935065 |
12 | 3YN | 0.683673 | 0.972973 |
13 | DWN | 0.683673 | 0.947368 |
14 | 1YF | 0.683168 | 0.986486 |
15 | FNF | 0.683168 | 0.986486 |
16 | 4TG | 0.676471 | 0.986486 |
17 | TTP | 0.666667 | 0.932432 |
18 | 3R2 | 0.663265 | 0.96 |
19 | 0N2 | 0.66 | 0.960526 |
20 | TYD | 0.659091 | 0.932432 |
21 | JHZ | 0.634615 | 0.923077 |
22 | QUH | 0.633027 | 0.973333 |
23 | FUH | 0.633027 | 0.973333 |
24 | TLO | 0.606061 | 0.933333 |
25 | AKM | 0.603774 | 0.924051 |
26 | TMP | 0.602273 | 0.918919 |
27 | TTP MG | 0.589474 | 0.905405 |
28 | 9RC | 0.553398 | 0.821429 |
29 | T5K | 0.551181 | 0.890244 |
30 | T4K | 0.551181 | 0.890244 |
31 | TQP | 0.543307 | 0.878049 |
32 | 7SG | 0.543307 | 0.878049 |
33 | TBD | 0.525773 | 0.896104 |
34 | T5A | 0.504132 | 0.855422 |
35 | 0DN | 0.483146 | 0.8 |
36 | LLT | 0.477273 | 0.837838 |
37 | THM | 0.477273 | 0.837838 |
38 | AZD | 0.466667 | 0.85 |
39 | 3DR DT DT DT DT DT | 0.461538 | 0.92 |
40 | ATY | 0.461538 | 0.933333 |
41 | UFP | 0.458333 | 0.846154 |
42 | 5IU | 0.44898 | 0.846154 |
43 | THP | 0.444444 | 0.905405 |
44 | T3P | 0.442105 | 0.88 |
45 | 5HU | 0.438776 | 0.906667 |
46 | BRU | 0.438776 | 0.846154 |
47 | TPE | 0.438596 | 0.934211 |
48 | DUT | 0.436893 | 0.891892 |
49 | ATM | 0.436893 | 0.8375 |
50 | FDM | 0.434343 | 0.858974 |
51 | NYM | 0.434343 | 0.894737 |
52 | 4TA | 0.434109 | 0.821429 |
53 | DT ME6 DT | 0.432 | 0.884615 |
54 | TXS | 0.428571 | 0.759494 |
55 | DUD | 0.425743 | 0.891892 |
56 | D3T | 0.423077 | 0.906667 |
57 | T3S | 0.42 | 0.782051 |
58 | UD7 | 0.413223 | 0.905405 |
59 | BVP | 0.409524 | 0.881579 |
60 | ABT | 0.403509 | 0.829268 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4zu5.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4zu5.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |