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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 1 families. | |||||
1 | 1DTH | ic50 = 6 nM | BAT | C23 H31 N3 O4 S2 | CC(C)C[C@H.... |
2 | 1ATL | Ki = 0.52 uM | 0QI | C17 H25 N O4 S | CC(C)C[C@H.... |
3 | 4AIG | ic50 = 0.3 uM | FLX | C21 H26 N3 O6 P | CC(C)C[C@@.... |
4 | 2W12 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
5 | 2W15 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
6 | 2W13 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
7 | 2W14 | ic50 = 22.2 uM | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1KUI | Ki = 0.169 mM | PCA GLN TRP | n/a | n/a |
2 | 1KUG | Ki = 0.00016 M | PCA ASN TRP | n/a | n/a |
3 | 1KUK | Ki = 0.124 mM | PCA LYS TRP | n/a | n/a |
4 | 1R55 | - | 097 | C15 H29 N3 O5 | CC(C)C[C@H.... |
5 | 1DTH | ic50 = 6 nM | BAT | C23 H31 N3 O4 S2 | CC(C)C[C@H.... |
6 | 1ATL | Ki = 0.52 uM | 0QI | C17 H25 N O4 S | CC(C)C[C@H.... |
7 | 4DD8 | - | BAT | C23 H31 N3 O4 S2 | CC(C)C[C@H.... |
8 | 4AIG | ic50 = 0.3 uM | FLX | C21 H26 N3 O6 P | CC(C)C[C@@.... |
9 | 1YP1 | - | LYS ASN LEU | n/a | n/a |
10 | 2W12 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
11 | 2W15 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
12 | 2W13 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
13 | 2W14 | ic50 = 22.2 uM | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FLX | 1 | 1 |
2 | PRO LEU PAT | 0.509804 | 0.769231 |
3 | TRP LEU PHE VAL GLN ARG ASP SER LYS GLU | 0.432692 | 0.677966 |
4 | 0ZN | 0.428571 | 0.655738 |
5 | TRP GLU GLU LEU | 0.409524 | 0.634921 |
6 | ALA LEU ASP LYS TRP ASP | 0.40678 | 0.602941 |
7 | RDF | 0.405172 | 0.820895 |
8 | GM6 | 0.401961 | 0.741935 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 2) in the query (biounit: 4aig.bio1) has 16 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |