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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 261 families. | |||||
1 | 3BL9 | ic50 = 43.94 nM | DD2 | C21 H23 Cl2 N5 O | c1cc(c(c(c.... |
2 | 3BL7 | ic50 = 7.62 nM | DD1 | C21 H24 F N5 O | c1ccc(c(c1.... |
3 | 5OSY | ic50 = 0.0447 uM | AJQ | C21 H30 N10 O15 P3 S3 | C[n+]1cn(c.... |
4 | 1XMM | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
5 | 1ST4 | - | GTA | C21 H30 N10 O17 P3 | C[n+]1cn(c.... |
6 | 1ST0 | - | GTG | C21 H30 N10 O18 P3 | C[n+]1cn(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 3BL9 | ic50 = 43.94 nM | DD2 | C21 H23 Cl2 N5 O | c1cc(c(c(c.... |
2 | 3BL7 | ic50 = 7.62 nM | DD1 | C21 H24 F N5 O | c1ccc(c(c1.... |
3 | 5OSY | ic50 = 0.0447 uM | AJQ | C21 H30 N10 O15 P3 S3 | C[n+]1cn(c.... |
4 | 1XMM | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
5 | 1ST4 | - | GTA | C21 H30 N10 O17 P3 | C[n+]1cn(c.... |
6 | 1ST0 | - | GTG | C21 H30 N10 O18 P3 | C[n+]1cn(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AJQ | 1 | 1 |
2 | 6CG | 0.596154 | 0.91358 |
3 | AKW | 0.515385 | 1 |
4 | G7M | 0.5 | 0.914634 |
5 | 6CE | 0.481203 | 0.842697 |
6 | MG7 | 0.480769 | 0.819277 |
7 | GTG | 0.472441 | 0.951219 |
8 | MGP | 0.466102 | 0.926829 |
9 | 6G0 | 0.462185 | 0.926829 |
10 | GDP 7MG | 0.453846 | 0.926829 |
11 | G2Q | 0.451613 | 0.858824 |
12 | GTA | 0.450382 | 0.951219 |
13 | GZ0 | 0.426471 | 0.870588 |
14 | C1Z | 0.4 | 0.878049 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 3bl7.bio1) has 31 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |