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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 | 3VWX | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
2 | 4PNF | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
3 | 4YH2 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
4 | 4PNG | - | GSF | C10 H17 N3 O8 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 | GSF | 1 | 1 |
2 | GSH | 0.660714 | 0.72549 |
3 | GS8 | 0.616667 | 0.862745 |
4 | GDS | 0.616667 | 0.722222 |
5 | GTS | 0.616667 | 0.910714 |
6 | GSM | 0.606557 | 0.654545 |
7 | AHE | 0.596774 | 0.666667 |
8 | HGD | 0.587302 | 0.722222 |
9 | TGG | 0.544118 | 0.698113 |
10 | GSB | 0.534247 | 0.654545 |
11 | BWS | 0.533333 | 0.641509 |
12 | 0HH | 0.513514 | 0.6 |
13 | HGS | 0.507937 | 0.75 |
14 | HCG | 0.5 | 0.711538 |
15 | GSO | 0.486842 | 0.642857 |
16 | GBI | 0.475 | 0.6 |
17 | 3GC | 0.473684 | 0.666667 |
18 | P9H | 0.45679 | 0.642857 |
19 | 48T | 0.452381 | 0.610169 |
20 | GVX | 0.430233 | 0.637931 |
21 | GCG | 0.415584 | 0.678571 |
22 | TS5 | 0.4 | 0.660714 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4png.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5LOL | GSH | 35.3488 |
This union binding pocket(no: 2) in the query (biounit: 4png.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5LOL | GSH | 35.3488 |