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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 | 5B48 | - | TDN | C15 H24 N4 O8 P2 S | CC/C(=C1/N.... |
2 | 5B47 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
3 | 5B46 | - | 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 | 5B48 | - | TDN | C15 H24 N4 O8 P2 S | CC/C(=C1/N.... |
2 | 5B47 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
3 | 5B46 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TDN | 1 | 1 |
2 | THD | 0.864198 | 0.9375 |
3 | 8N9 | 0.864198 | 0.9375 |
4 | TDM | 0.814815 | 0.973684 |
5 | TD7 | 0.813953 | 0.949367 |
6 | TZD | 0.690476 | 0.8875 |
7 | 8FL | 0.565217 | 0.898734 |
8 | 8EL | 0.565217 | 0.898734 |
9 | QSP | 0.518868 | 0.902439 |
10 | ZP1 | 0.482143 | 0.914634 |
11 | 8EF | 0.45 | 0.839506 |
12 | TPU | 0.43299 | 0.759036 |
13 | TPW | 0.428571 | 0.805195 |
14 | 1TP | 0.425926 | 0.853659 |
15 | TDW | 0.423077 | 0.897436 |
16 | TPP | 0.415842 | 0.871795 |
17 | PYI | 0.415842 | 0.772152 |
18 | S1T | 0.413462 | 0.818182 |
19 | R1T | 0.413462 | 0.818182 |
20 | G8G | 0.41 | 0.835443 |
21 | HTL | 0.409524 | 0.886076 |
22 | TOG | 0.405405 | 0.876543 |
23 | THY | 0.40367 | 0.898734 |
24 | 1U0 | 0.401869 | 0.8 |
25 | TDL | 0.4 | 0.833333 |
This union binding pocket(no: 1) in the query (biounit: 5b48.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |