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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 277 families. | |||||
1 | 6F69 | - | CUH | C13 H10 O4 | c1ccc(cc1).... |
2 | 6HPE | - | GVX | C19 H26 N4 O6 S2 | c1ccc(cc1).... |
3 | 6F67 | - | CUQ | C13 H10 O3 | c1ccc(cc1).... |
4 | 6F51 | - | CNZ | C24 H28 N3 O7 S | c1ccc(cc1).... |
5 | 6F68 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
6 | 6F6A | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
7 | 6F4F | - | GDN | C16 H19 N5 O10 S | c1cc(c(cc1.... |
8 | 6F4K | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
9 | 6F66 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
10 | 6F4B | - | 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 212 families. | |||||
1 | 6F69 | - | CUH | C13 H10 O4 | c1ccc(cc1).... |
2 | 6HPE | - | GVX | C19 H26 N4 O6 S2 | c1ccc(cc1).... |
3 | 6F67 | - | CUQ | C13 H10 O3 | c1ccc(cc1).... |
4 | 6F51 | - | CNZ | C24 H28 N3 O7 S | c1ccc(cc1).... |
5 | 6F68 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
6 | 6F6A | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
7 | 6F4F | - | GDN | C16 H19 N5 O10 S | c1cc(c(cc1.... |
8 | 6F4K | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
9 | 6F66 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
10 | 6F4B | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
11 | 6F71 | - | CWE | C15 H12 O5 | c1cc(ccc1[.... |
12 | 6F70 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GDN | 1 | 1 |
2 | GTB | 0.616279 | 0.887097 |
3 | 1R4 | 0.595506 | 0.873016 |
4 | GNB | 0.56383 | 0.875 |
5 | GTD | 0.549451 | 0.875 |
6 | GSB | 0.505618 | 0.629032 |
7 | GSO | 0.5 | 0.619048 |
8 | GVX | 0.494845 | 0.615385 |
9 | GIP | 0.494737 | 0.714286 |
10 | TGG | 0.494118 | 0.612903 |
11 | GBP | 0.489583 | 0.714286 |
12 | GBI | 0.489362 | 0.606061 |
13 | P9H | 0.489362 | 0.645161 |
14 | GPR | 0.474227 | 0.666667 |
15 | GPS | 0.474227 | 0.666667 |
16 | BYG | 0.440678 | 0.734177 |
17 | LZ6 | 0.433962 | 0.647059 |
18 | GAZ | 0.409524 | 0.614286 |
No: | Ligand | Similarity coefficient |
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