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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 2 families. | |||||
1 | 3M02 | - | 2CF | C15 H27 F O7 P2 | CC(=CCC/C(.... |
2 | 3LZ9 | - | FPF | C15 H27 F O7 P2 | CC(=CCC/C(.... |
3 | 4RNQ | - | A4S | C16 H25 N O7 P2 | C/C(=CCOP(.... |
4 | 5IKH | - | 6BW | C15 H24 | C[C@@H]1CC.... |
5 | 5IK6 | - | CRE | C15 H24 | CC1=CCCC(=.... |
6 | 5EAU | - | FFF | C15 H25 F3 O7 P2 | CC(=CCC/C(.... |
7 | 1HXA | - | FHP | C15 H27 O4 P | CC(=CCC/C(.... |
8 | 5IK0 | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
9 | 3M00 | - | 2CF | C15 H27 F O7 P2 | CC(=CCC/C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1N22 | - | 7A8 | C9 H17 N | CC1=CC[C@@.... |
2 | 1N20 | - | 3AG | C9 H18 N O7 P2 | CC(=CCC[N@.... |
3 | 1N23 | - | 2BN | C9 H17 N | CC1([C@@H].... |
4 | 1N24 | - | BP2 | C10 H17 O7 P2 | CC1([C@@H].... |
5 | 3M02 | - | 2CF | C15 H27 F O7 P2 | CC(=CCC/C(.... |
6 | 3LZ9 | - | FPF | C15 H27 F O7 P2 | CC(=CCC/C(.... |
7 | 4RNQ | - | A4S | C16 H25 N O7 P2 | C/C(=CCOP(.... |
8 | 5IKH | - | 6BW | C15 H24 | C[C@@H]1CC.... |
9 | 5IK6 | - | CRE | C15 H24 | CC1=CCCC(=.... |
10 | 5EAU | - | FFF | C15 H25 F3 O7 P2 | CC(=CCC/C(.... |
11 | 1HXA | - | FHP | C15 H27 O4 P | CC(=CCC/C(.... |
12 | 5IK0 | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
13 | 3M00 | - | 2CF | C15 H27 F O7 P2 | CC(=CCC/C(.... |
14 | 6O9P | - | BFQ | C9 H23 N O7 P2 | CCCCC[N@](.... |
15 | 5UV1 | Ki = 2.4 uM | 0FV | C10 H19 F O7 P2 | CC(=CCC/C(.... |
16 | 5UV2 | Ki = 39.5 uM | LA6 | C10 H19 F O7 P2 | CC(=CCC/C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2CF | 1 | 1 |
2 | FPF | 1 | 1 |
3 | FGG | 0.980769 | 1 |
4 | 0FV | 0.807692 | 0.97619 |
5 | LA6 | 0.807692 | 0.97619 |
6 | FPP | 0.57377 | 0.928571 |
7 | VTP | 0.57377 | 0.906977 |
8 | OTP | 0.57377 | 0.906977 |
9 | ZTP | 0.57377 | 0.906977 |
10 | GRG | 0.57377 | 0.928571 |
11 | FFF | 0.545455 | 1 |
12 | GPP | 0.533333 | 0.904762 |
13 | MGM | 0.514286 | 0.722222 |
14 | 3E9 | 0.507246 | 0.886364 |
15 | ELU | 0.5 | 0.886364 |
16 | ELR | 0.5 | 0.886364 |
17 | DSL | 0.491525 | 0.837209 |
18 | 0K3 | 0.491525 | 0.837209 |
19 | FJP | 0.491525 | 0.857143 |
20 | GGS | 0.454545 | 0.822222 |
21 | FPS | 0.454545 | 0.822222 |
22 | FDF | 0.442857 | 0.930233 |
23 | HZZ | 0.440678 | 0.833333 |
24 | PS7 | 0.426829 | 0.847826 |
25 | GST | 0.415385 | 0.8 |
26 | FHP | 0.40625 | 0.711111 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5ikh.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |