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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 426 families. | |||||
1 | 3PPR | Kd = 1.5 mM | 4CS | C6 H10 N2 O2 | CC1=N[C@@H.... |
2 | 3PPQ | Kd = 28 uM | CHT | C5 H14 N O | C[N+](C)(C.... |
3 | 5NXY | - | 1Y8 | C5 H14 As O | C[As](C)(C.... |
4 | 3R6U | Kd = 30.5 uM | CHT | C5 H14 N O | C[N+](C)(C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 3PPR | Kd = 1.5 mM | 4CS | C6 H10 N2 O2 | CC1=N[C@@H.... |
2 | 3PPQ | Kd = 28 uM | CHT | C5 H14 N O | C[N+](C)(C.... |
3 | 5NXY | - | 1Y8 | C5 H14 As O | C[As](C)(C.... |
4 | 3R6U | Kd = 30.5 uM | CHT | C5 H14 N O | C[N+](C)(C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 1Y8 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 2HE | 0.9568 |
2 | POA | 0.9568 |
3 | P7I | 0.9531 |
4 | VX | 0.9530 |
5 | XPO | 0.9399 |
6 | TAU | 0.9348 |
7 | 8X3 | 0.9326 |
8 | 3Q7 | 0.9259 |
9 | CHT | 0.9222 |
10 | PAE | 0.9160 |
11 | 7VD | 0.9091 |
12 | TB6 | 0.9087 |
13 | S0H | 0.9084 |
14 | PGA | 0.9073 |
15 | PCT | 0.9069 |
16 | PPF | 0.9064 |
17 | CP | 0.9050 |
18 | 8FH | 0.9045 |
19 | ETM | 0.9037 |
20 | DZZ | 0.9024 |
21 | HSW | 0.8931 |
22 | SAT | 0.8911 |
23 | TAY | 0.8807 |
24 | GG6 | 0.8781 |
25 | VAL | 0.8716 |
26 | THR | 0.8687 |
27 | CYS | 0.8687 |
28 | HV2 | 0.8682 |
29 | BUB | 0.8626 |
This union binding pocket(no: 1) in the query (biounit: 3r6u.bio1) has 8 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |