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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 1 families. | |||||
1 | 3PZ2 | ic50 = 724 nM | 3PZ | C29 H29 N5 O3 S | Cn1cncc1CN.... |
2 | 4GTS | ic50 = 12.8 nM | 7TP | C33 H32 N4 O6 S | Cn1cncc1CN.... |
3 | 3PZ3 | ic50 = 141 nM | PZ3 | C41 H39 N5 O7 S | Cn1cncc1CN.... |
4 | 4GTT | ic50 = 6 nM | 7TQ | C37 H36 N6 O5 S | Cn1cncc1CN.... |
5 | 3DST | Kd = 0.83 nM | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
6 | 3DSU | Kd = 94 nM | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
7 | 3HXC | - | BD6 | C35 H37 N7 O6 | CN([C@@H](.... |
8 | 3C72 | ic50 = 22.7 uM | CX1 | C33 H35 N5 O7 | CN([C@@H](.... |
9 | 3DSV | - | GER | C20 H34 | CC=C(/C)CC.... |
10 | 3HXE | - | BD8 | C43 H57 N7 O5 | CCCCCCCCCC.... |
11 | 3PZ1 | ic50 = 724 nM | 3PZ | C29 H29 N5 O3 S | Cn1cncc1CN.... |
12 | 3DSW | - | GER | C20 H34 | CC=C(/C)CC.... |
13 | 4GTV | ic50 = 38 nM | 7TR | C34 H38 N6 O5 S | CCN(CC)C(=.... |
14 | 3HXB | - | BD5 | C35 H35 N3 O8 | c1ccc(cc1).... |
15 | 3DSX | - | GER | C20 H34 | CC=C(/C)CC.... |
16 | 3HXF | - | BD9 | C40 H55 N9 O5 | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3PZ2 | ic50 = 724 nM | 3PZ | C29 H29 N5 O3 S | Cn1cncc1CN.... |
2 | 4GTS | ic50 = 12.8 nM | 7TP | C33 H32 N4 O6 S | Cn1cncc1CN.... |
3 | 3PZ3 | ic50 = 141 nM | PZ3 | C41 H39 N5 O7 S | Cn1cncc1CN.... |
4 | 4GTT | ic50 = 6 nM | 7TQ | C37 H36 N6 O5 S | Cn1cncc1CN.... |
5 | 3DST | Kd = 0.83 nM | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
6 | 3DSU | Kd = 94 nM | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
7 | 3HXC | - | BD6 | C35 H37 N7 O6 | CN([C@@H](.... |
8 | 3C72 | ic50 = 22.7 uM | CX1 | C33 H35 N5 O7 | CN([C@@H](.... |
9 | 3DSV | - | GER | C20 H34 | CC=C(/C)CC.... |
10 | 3HXE | - | BD8 | C43 H57 N7 O5 | CCCCCCCCCC.... |
11 | 3PZ1 | ic50 = 724 nM | 3PZ | C29 H29 N5 O3 S | Cn1cncc1CN.... |
12 | 3DSW | - | GER | C20 H34 | CC=C(/C)CC.... |
13 | 4GTV | ic50 = 38 nM | 7TR | C34 H38 N6 O5 S | CCN(CC)C(=.... |
14 | 3HXB | - | BD5 | C35 H35 N3 O8 | c1ccc(cc1).... |
15 | 3DSX | - | GER | C20 H34 | CC=C(/C)CC.... |
16 | 3HXF | - | BD9 | C40 H55 N9 O5 | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BD5 | 1 | 1 |
2 | TI2 | 0.635135 | 0.837209 |
3 | CX1 | 0.556701 | 0.719298 |
4 | FVF | 0.534884 | 0.690909 |
5 | 186 | 0.53012 | 0.840909 |
6 | NX6 | 0.507042 | 0.727273 |
7 | 343 | 0.485981 | 0.66129 |
8 | AG6 | 0.484848 | 0.77551 |
9 | 3EF | 0.46789 | 0.634921 |
10 | 3ES | 0.46789 | 0.634921 |
11 | MP2 | 0.455696 | 0.729167 |
12 | PHQ DAS | 0.445946 | 0.659091 |
13 | BBL | 0.444444 | 0.714286 |
14 | KI2 PHE GLU GLU NH2 | 0.444444 | 0.745098 |
15 | 33Z | 0.443396 | 0.612903 |
16 | THR ASN GLU PHE TYR PHE | 0.44086 | 0.734694 |
17 | 3NF | 0.428571 | 0.72093 |
18 | PHQ DGL | 0.428571 | 0.659091 |
19 | THR PRO ASP TYR PHE LEU | 0.425743 | 0.616667 |
20 | PHP | 0.423529 | 0.660714 |
21 | PHQ LEU VAL ARG TYR | 0.423423 | 0.706897 |
22 | ING | 0.42029 | 0.608696 |
23 | ASP PHE GLU ASP TYR GLU PHE ASP | 0.42 | 0.692308 |
24 | PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE | 0.405941 | 0.698113 |
25 | BWX | 0.402439 | 0.644444 |
26 | ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE | 0.401961 | 0.72 |
27 | SBA | 0.4 | 0.705882 |
No: | Ligand | Similarity coefficient |
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