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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 5 families. | |||||
1 | 4KXW | - | TDP DX5 | n/a | n/a |
2 | 4KXV | - | TDP DX5 | n/a | n/a |
3 | 6RJB | - | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
4 | 3MOS | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
5 | 6HA3 | - | T6F | C18 H32 N4 O16 P3 S | Cc1c(sc([n.... |
6 | 6HAD | - | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
7 | 4KXY | - | 1U0 | C15 H23 N3 O9 P2 S | Cc1c(sc(c1.... |
8 | 4KXU | - | S6P TDP | n/a | n/a |
9 | 4KXX | - | 1Y7 TDP | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4KXW | - | TDP DX5 | n/a | n/a |
2 | 4KXV | - | TDP DX5 | n/a | n/a |
3 | 6RJB | - | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
4 | 3MOS | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
5 | 6HA3 | - | T6F | C18 H32 N4 O16 P3 S | Cc1c(sc([n.... |
6 | 6HAD | - | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
7 | 4KXY | - | 1U0 | C15 H23 N3 O9 P2 S | Cc1c(sc(c1.... |
8 | 4KXU | - | S6P TDP | n/a | n/a |
9 | 4KXX | - | 1Y7 TDP | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | T6F | 1 | 1 |
2 | T5X | 0.875 | 1 |
3 | 1Y7 TDP | 0.666667 | 0.974359 |
4 | AUJ | 0.653465 | 0.949367 |
5 | TDL | 0.640777 | 0.95 |
6 | TDK | 0.634615 | 0.949367 |
7 | TDP DX5 | 0.630631 | 0.974359 |
8 | D7K | 0.59292 | 0.9375 |
9 | TDW | 0.582524 | 0.923077 |
10 | THV | 0.580952 | 0.911392 |
11 | WWF | 0.575472 | 0.9125 |
12 | O2T | 0.574074 | 0.9375 |
13 | HTL | 0.567308 | 0.911392 |
14 | TD6 | 0.544643 | 0.901235 |
15 | THY | 0.541284 | 0.9 |
16 | TD9 | 0.535088 | 0.901235 |
17 | TD8 | 0.535088 | 0.901235 |
18 | TOG | 0.513274 | 0.901235 |
19 | THW | 0.508772 | 0.911392 |
20 | 8PA | 0.508197 | 0.9 |
21 | 5SR | 0.477477 | 0.875 |
22 | TPP | 0.476636 | 0.897436 |
23 | 1U0 | 0.447368 | 0.871795 |
24 | V4E | 0.446429 | 0.897436 |
25 | PYI | 0.436364 | 0.797468 |
26 | TPW | 0.435185 | 0.807692 |
27 | S1T | 0.433628 | 0.820513 |
28 | R1T | 0.433628 | 0.820513 |
29 | S6P TDP | 0.433071 | 0.869048 |
30 | 8ML | 0.433071 | 0.869048 |
31 | 8EO | 0.40708 | 0.831325 |
32 | TDP | 0.403509 | 0.884615 |
No: | Ligand | Similarity coefficient |
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