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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 | TDP DX5 | 1 | 1 |
2 | 1Y7 TDP | 0.841584 | 1 |
3 | T5X | 0.707547 | 0.974359 |
4 | T6F | 0.630631 | 0.974359 |
5 | S6P TDP | 0.537815 | 0.890244 |
6 | O2T | 0.513274 | 0.9125 |
7 | AUJ | 0.486726 | 0.924051 |
8 | TDL | 0.478261 | 0.925 |
9 | TDK | 0.474138 | 0.924051 |
10 | D7K | 0.436508 | 0.9125 |
11 | THV | 0.42735 | 0.886076 |
12 | TDW | 0.426087 | 0.897436 |
13 | WWF | 0.423729 | 0.8875 |
14 | 5SR | 0.422414 | 0.873418 |
15 | HTL | 0.413793 | 0.886076 |
16 | TD6 | 0.403226 | 0.876543 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 8ML | 0.9000 |