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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 1331 families. | |||||
1 | 4ZBA | Kd = 3.09 uM | GDS | C20 H32 N6 O12 S2 | C(CC(=O)N[.... |
2 | 4ZBB | - | GDN | C16 H19 N5 O10 S | c1cc(c(cc1.... |
3 | 4ZB9 | Kd = 3.09 uM | GDS | C20 H32 N6 O12 S2 | C(CC(=O)N[.... |
4 | 4ZB6 | Kd = 0.53 uM | GDS | C20 H32 N6 O12 S2 | C(CC(=O)N[.... |
5 | 4ZB8 | Kd = 0.94 uM | GDS | C20 H32 N6 O12 S2 | C(CC(=O)N[.... |
6 | 4ZBD | Kd = 1.6 uM | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 3GX0 | Kd = 2.4 uM | GDS | C20 H32 N6 O12 S2 | C(CC(=O)N[.... |
2 | 4F0B | - | GDS | C20 H32 N6 O12 S2 | C(CC(=O)N[.... |
3 | 4ZBA | Kd = 3.09 uM | GDS | C20 H32 N6 O12 S2 | C(CC(=O)N[.... |
4 | 4ZBB | - | GDN | C16 H19 N5 O10 S | c1cc(c(cc1.... |
5 | 4ZB9 | Kd = 3.09 uM | GDS | C20 H32 N6 O12 S2 | C(CC(=O)N[.... |
6 | 4ZB6 | Kd = 0.53 uM | GDS | C20 H32 N6 O12 S2 | C(CC(=O)N[.... |
7 | 4ZB8 | Kd = 0.94 uM | GDS | C20 H32 N6 O12 S2 | C(CC(=O)N[.... |
8 | 4ZBD | Kd = 1.6 uM | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
9 | 1K0B | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
10 | 1K0A | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
11 | 1K0C | - | GTB | C17 H22 N4 O8 S | c1cc(ccc1C.... |
12 | 1K0D | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GDS | 1 | 1 |
2 | GS8 | 0.777778 | 0.791667 |
3 | GSM | 0.763636 | 0.782609 |
4 | AHE | 0.75 | 0.8 |
5 | HGD | 0.736842 | 0.909091 |
6 | TGG | 0.677419 | 0.883721 |
7 | GSH | 0.672727 | 0.837209 |
8 | GTS | 0.627119 | 0.661017 |
9 | GSF | 0.616667 | 0.722222 |
10 | GSB | 0.608696 | 0.782609 |
11 | 0HH | 0.608696 | 0.77551 |
12 | TS4 | 0.605634 | 0.913043 |
13 | GSO | 0.6 | 0.765957 |
14 | GBI | 0.581081 | 0.705882 |
15 | GTB | 0.567568 | 0.633333 |
16 | P9H | 0.56 | 0.804348 |
17 | GPS | 0.558442 | 0.654545 |
18 | GPR | 0.558442 | 0.654545 |
19 | GTD | 0.552632 | 0.603175 |
20 | L9X | 0.552632 | 0.622951 |
21 | ESG | 0.552632 | 0.622951 |
22 | 1R4 | 0.545455 | 0.622951 |
23 | BOB | 0.545455 | 0.745098 |
24 | BWS | 0.542373 | 0.772727 |
25 | 48T | 0.531646 | 0.72 |
26 | GVX | 0.525 | 0.755102 |
27 | HGS | 0.516129 | 0.863636 |
28 | GNB | 0.512195 | 0.603175 |
29 | HCG | 0.507937 | 0.860465 |
30 | RGS | 0.507937 | 0.893617 |
31 | KSN | 0.491228 | 0.738095 |
32 | GSH GSH | 0.484375 | 0.953488 |
33 | LZ6 | 0.482759 | 0.690909 |
34 | 3GC | 0.482143 | 0.767442 |
35 | GTX | 0.459459 | 0.76 |
36 | GSN | 0.449275 | 0.730769 |
37 | LTX | 0.4375 | 0.745098 |
38 | 0HG | 0.435897 | 0.692308 |
39 | TS5 | 0.423077 | 0.826087 |
40 | GCG | 0.421053 | 0.847826 |
41 | GAZ | 0.420455 | 0.62069 |
42 | GBX | 0.415842 | 0.631579 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4zb8.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4zb8.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |