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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 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 | 4OFG | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
2 | 5JAX | - | 6J7 | C10 H11 Br N5 O7 P | C1[C@@H]2[.... |
3 | 5J48 | - | 6FW | C16 H15 Cl N5 O7 P S | c1cc(ccc1S.... |
4 | 5KJY | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
5 | 5KJX | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
6 | 5KJZ | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
7 | 5T3N | Kd = 9.1 nM | 75G | C10 H11 Cl N5 O5 P S | c1nc2c(nc(.... |
8 | 5K8S | Kd = 6 nM | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
9 | 5BV6 | Kd = 31 nM | 35G | C10 H12 N5 O7 P | c1nc2c(n1[.... |
10 | 5JIX | - | 6J7 | C10 H11 Br N5 O7 P | C1[C@@H]2[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6J7 | 1 | 1 |
2 | PCG | 0.58427 | 0.946667 |
3 | 35G | 0.58427 | 0.946667 |
4 | C2E | 0.58427 | 0.934211 |
5 | 1YD | 0.490566 | 0.934211 |
6 | 4BW | 0.490566 | 0.934211 |
7 | 4UR | 0.464912 | 0.934211 |
8 | 6FW | 0.462963 | 0.902439 |
9 | KT2 | 0.461538 | 0.934211 |
10 | 5GP 5GP | 0.434343 | 0.896104 |
11 | 1YC | 0.419643 | 0.907895 |
12 | 6SW | 0.418367 | 0.906667 |
13 | 1SY | 0.4 | 0.934211 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CMP | 0.9695 |
2 | 75G | 0.9640 |
3 | RP1 | 0.9555 |
4 | SP1 | 0.9546 |
5 | 6SZ | 0.9151 |
6 | 7CH | 0.9140 |
7 | 0NH | 0.9063 |
8 | 5GP | 0.9056 |
9 | 6SX | 0.8999 |
10 | 3GP | 0.8997 |
11 | 8MF | 0.8948 |
12 | CC7 | 0.8932 |
13 | 6SY | 0.8928 |
14 | 8BR | 0.8839 |
15 | FEU | 0.8837 |
16 | 94M | 0.8806 |
17 | 5HM | 0.8792 |
18 | UFP | 0.8783 |
19 | 2H4 | 0.8754 |
20 | TMP | 0.8748 |
21 | DGP | 0.8746 |
22 | 71V | 0.8719 |
23 | ADN | 0.8650 |
24 | RDL | 0.8629 |
25 | 1VY | 0.8627 |
26 | 8OG | 0.8623 |
27 | DLZ | 0.8600 |
28 | 8HG | 0.8600 |
29 | QNI | 0.8587 |
30 | P1Y | 0.8583 |
31 | NOJ BGC | 0.8581 |
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 |