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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 11 families. | |||||
1 | 4IZY | ic50 = 3 nM | 1J2 | C24 H31 N5 O3 S | CS(=O)(=O).... |
2 | 4E73 | ic50 = 0.049 uM | 0NR | C34 H34 N4 O4 | COC(=O)C1=.... |
3 | 4HYS | ic50 = 0.055 uM | 1BJ | C17 H19 N5 O | c1ccc2c(c1.... |
4 | 4HYU | ic50 = 6.2 nM | 1BK | C21 H27 N5 O4 S | CS(=O)(=O).... |
5 | 3PTG | ic50 = 25 nM | 932 | C18 H17 N5 O2 S | Cc1csc(c1c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 7 families. | |||||
1 | 4IZY | ic50 = 3 nM | 1J2 | C24 H31 N5 O3 S | CS(=O)(=O).... |
2 | 4E73 | ic50 = 0.049 uM | 0NR | C34 H34 N4 O4 | COC(=O)C1=.... |
3 | 4HYS | ic50 = 0.055 uM | 1BJ | C17 H19 N5 O | c1ccc2c(c1.... |
4 | 4HYU | ic50 = 6.2 nM | 1BK | C21 H27 N5 O4 S | CS(=O)(=O).... |
5 | 3PTG | ic50 = 25 nM | 932 | C18 H17 N5 O2 S | Cc1csc(c1c.... |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3ptg.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3TKI | S25 | 28.7926 |
2 | 4N70 | 2HX | 29.5732 |
3 | 5UR1 | YY9 | 29.9035 |
4 | 1XJD | STU | 33.0435 |
5 | 5IZF | 6J9 AZ1 DAR ACA DAR NH2 | 33.3333 |
6 | 2Z7R | STU | 34.891 |
7 | 4NW6 | 2NS | 36.8421 |
8 | 3RWP | ABQ | 42.7653 |
9 | 3RWP | ABQ | 42.7653 |
10 | 2JLD | AG1 | 44.0771 |
11 | 6Y9R | OH8 | 44.5714 |
12 | 6K0J | CQO | 47.4006 |