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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 39 families. | |||||
1 | 2IMK | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
2 | 3ZMK | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
3 | 4GSN | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
4 | 3ZML | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
5 | 2IMI | - | 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 18 families. | |||||
1 | 3VWX | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
2 | 2IMK | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
3 | 3ZMK | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
4 | 4GSN | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
5 | 3ZML | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
6 | 2IMI | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
7 | 4PNF | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
8 | 4YH2 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
9 | 1V2A | - | GTS | C10 H17 N3 O9 S | C(CC(=O)N[.... |
10 | 6T2T | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
11 | 1JLV | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
12 | 3WYW | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
13 | 1PN9 | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
14 | 4PNG | - | GSF | C10 H17 N3 O8 S | C(CC(=O)N[.... |
15 | 1R5A | - | GTS | C10 H17 N3 O9 S | C(CC(=O)N[.... |
16 | 3G7J | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
17 | 3F6D | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
18 | 3F63 | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
19 | 5ZWP | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GTX | 1 | 1 |
2 | 0HH | 0.732394 | 0.978261 |
3 | 0HG | 0.56962 | 0.703704 |
4 | CNZ | 0.54023 | 0.716981 |
5 | GSM | 0.493151 | 0.829787 |
6 | AHE | 0.486486 | 0.770833 |
7 | GS8 | 0.459459 | 0.666667 |
8 | GDS | 0.459459 | 0.76 |
9 | HGD | 0.441558 | 0.72549 |
10 | BOB | 0.43956 | 0.897959 |
11 | TGG | 0.432099 | 0.770833 |
12 | GSB | 0.430233 | 0.755102 |
13 | ABY | 0.425287 | 0.709091 |
14 | GSO | 0.425287 | 0.74 |
15 | GGL CYW GLY | 0.402439 | 0.795918 |
16 | 48T | 0.4 | 0.698113 |