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- Structure Biounit | Ligand Information
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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1KVK | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
2 | 2R42 | - | FPS | C15 H28 O6 P2 S | CC(=CCC/C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1KVK | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
2 | 2R42 | - | FPS | C15 H28 O6 P2 S | CC(=CCC/C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GGS | 1 | 1 |
2 | FPS | 1 | 1 |
3 | GST | 0.911111 | 0.975 |
4 | AG8 | 0.701754 | 0.816327 |
5 | DST | 0.5625 | 0.85 |
6 | OTP | 0.551724 | 0.860465 |
7 | ZTP | 0.551724 | 0.860465 |
8 | VTP | 0.551724 | 0.860465 |
9 | FPP | 0.551724 | 0.880952 |
10 | GRG | 0.551724 | 0.880952 |
11 | 0K3 | 0.54717 | 0.790698 |
12 | FJP | 0.54717 | 0.809524 |
13 | DSL | 0.54717 | 0.790698 |
14 | HZZ | 0.490566 | 0.785714 |
15 | GPP | 0.482759 | 0.857143 |
16 | FFF | 0.476923 | 0.822222 |
17 | FHP | 0.473684 | 0.704545 |
18 | FGG | 0.469697 | 0.822222 |
19 | ELR | 0.455882 | 0.840909 |
20 | ELU | 0.455882 | 0.840909 |
21 | 2CF | 0.454545 | 0.822222 |
22 | FPF | 0.454545 | 0.822222 |
23 | MGM | 0.449275 | 0.685185 |
24 | 3E9 | 0.441176 | 0.840909 |
25 | FPQ | 0.426471 | 0.734694 |
26 | FII | 0.41791 | 0.6 |
27 | PS7 | 0.405063 | 0.804348 |
28 | 749 | 0.403509 | 0.875 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2r42.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2r42.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |