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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 | 1R5A | - | GTS | C10 H17 N3 O9 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 | GTS | 1 | 1 |
2 | GSH | 0.672727 | 0.660714 |
3 | GDS | 0.627119 | 0.661017 |
4 | GS8 | 0.627119 | 0.785714 |
5 | GSF | 0.616667 | 0.910714 |
6 | GSM | 0.616667 | 0.6 |
7 | AHE | 0.606557 | 0.610169 |
8 | HGD | 0.596774 | 0.661017 |
9 | TGG | 0.575758 | 0.637931 |
10 | GSB | 0.541667 | 0.6 |
11 | HGS | 0.516129 | 0.684211 |
12 | HCG | 0.507937 | 0.649123 |
13 | 3GC | 0.482143 | 0.607143 |
14 | GVX | 0.46988 | 0.612903 |
15 | TS5 | 0.441558 | 0.606557 |
16 | GCG | 0.44 | 0.622951 |
17 | TS4 | 0.425 | 0.645161 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GGL CYW GLY | 0.9541 |
2 | GSN | 0.9409 |
This union binding pocket(no: 1) in the query (biounit: 1r5a.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6ZB6 | GSH | 38.9908 |
This union binding pocket(no: 2) in the query (biounit: 1r5a.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |