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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 | 5EXD | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
2 | 5C4I | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
3 | 5EXE | - | 5SR | C13 H18 N4 O9 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 | 5EXD | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
2 | 5C4I | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
3 | 5EXE | - | 5SR | C13 H18 N4 O9 P2 S | Cc1c(sc([n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 5SR | 1 | 1 |
2 | O2T | 0.711111 | 0.935065 |
3 | HTL | 0.709302 | 0.959459 |
4 | TDP | 0.582418 | 0.958333 |
5 | TDL | 0.57732 | 0.923077 |
6 | TOG | 0.565657 | 0.947368 |
7 | TDW | 0.56383 | 0.945946 |
8 | AUJ | 0.556701 | 0.922078 |
9 | TD6 | 0.554455 | 0.947368 |
10 | THV | 0.546392 | 0.933333 |
11 | TD9 | 0.543689 | 0.947368 |
12 | TD8 | 0.543689 | 0.947368 |
13 | WWF | 0.540816 | 0.909091 |
14 | THY | 0.535354 | 0.921053 |
15 | THW | 0.529412 | 0.933333 |
16 | TDK | 0.524752 | 0.897436 |
17 | 8PA | 0.5 | 0.921053 |
18 | D7K | 0.490909 | 0.886076 |
19 | TPP | 0.479167 | 0.945205 |
20 | T5X | 0.477477 | 0.875 |
21 | T6F | 0.477477 | 0.875 |
22 | V4E | 0.474747 | 0.945205 |
23 | TMV | 0.44 | 0.906667 |
24 | PYI | 0.434343 | 0.837838 |
25 | TPW | 0.43299 | 0.849315 |
26 | R1T | 0.431373 | 0.837838 |
27 | S1T | 0.431373 | 0.837838 |
28 | TDP DX5 | 0.422414 | 0.873418 |
29 | TPS | 0.421053 | 0.90411 |
30 | 1Y7 TDP | 0.420168 | 0.873418 |
31 | 1U0 | 0.419048 | 0.794872 |
32 | TPU | 0.408163 | 0.797468 |
33 | N1T | 0.401961 | 0.958333 |