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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 7 families. | |||||
1 | 5JAX | - | 6J7 | C10 H11 Br N5 O7 P | C1[C@@H]2[.... |
2 | 5J48 | - | 6FW | C16 H15 Cl N5 O7 P S | c1cc(ccc1S.... |
3 | 5JD7 | - | 6JR | C18 H16 N5 O7 P | c1ccc(cc1).... |
4 | 4QX5 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
5 | 4KU7 | Kd = 12 nM | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 3SHR | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
2 | 5JD7 | - | 6JR | C18 H16 N5 O7 P | c1ccc(cc1).... |
3 | 4QX5 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
4 | 4KU7 | Kd = 12 nM | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6JR | 1 | 1 |
2 | PCG | 0.457944 | 0.930556 |
3 | 35G | 0.457944 | 0.930556 |
4 | C2E | 0.457944 | 0.944444 |
5 | 6SW | 0.439252 | 0.942857 |
6 | 6SZ | 0.433962 | 0.942029 |
7 | 7CH | 0.432692 | 0.913043 |
8 | 6SX | 0.428571 | 0.911765 |
9 | CMP | 0.419048 | 0.927536 |
10 | 2BA | 0.419048 | 0.942029 |
11 | 1SY | 0.407692 | 0.944444 |
12 | 4BW | 0.406504 | 0.944444 |
13 | 1YD | 0.406504 | 0.944444 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5jax.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6HQ7 | PCG | 29.6296 |
2 | 2PTM | CMP | 37.7778 |
3 | 3PNA | CMP | 39.2593 |
4 | 3PNA | CMP | 39.2593 |
5 | 3PNA | CMP | 39.2593 |
6 | 3PNA | CMP | 39.2593 |
7 | 4MUV | PCG | 42.2222 |
8 | 4MUV | PCG | 42.2222 |
9 | 4MUV | PCG | 42.2222 |
10 | 4MUV | PCG | 42.2222 |
11 | 1CX4 | CMP | 45.1852 |