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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 5BRD | Ki = 32 uM | BG8 | C13 H17 N O6 | c1ccc(cc1).... |
2 | 5BRE | Ki = 0.71 uM | 4UZ | C14 H19 N O7 | c1ccc(cc1).... |
3 | 5BRH | Ki = 4.1 uM | 4V3 | C16 H19 N O9 S | c1ccc2c(c1.... |
4 | 2Q2R | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
5 | 5BRF | Ki = 1.3 uM | 4V5 | C15 H21 N O7 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 5BRD | Ki = 32 uM | BG8 | C13 H17 N O6 | c1ccc(cc1).... |
2 | 5BRE | Ki = 0.71 uM | 4UZ | C14 H19 N O7 | c1ccc(cc1).... |
3 | 5BRH | Ki = 4.1 uM | 4V3 | C16 H19 N O9 S | c1ccc2c(c1.... |
4 | 2Q2R | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
5 | 5BRF | Ki = 1.3 uM | 4V5 | C15 H21 N O7 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 4UZ | 1 | 1 |
2 | 4V3 | 0.551282 | 0.642857 |
3 | BG8 | 0.545455 | 0.891304 |
4 | A2G | 0.508475 | 0.808511 |
5 | BM3 | 0.508475 | 0.808511 |
6 | NDG | 0.508475 | 0.808511 |
7 | NAG | 0.508475 | 0.808511 |
8 | HSQ | 0.508475 | 0.808511 |
9 | NGA | 0.508475 | 0.808511 |
10 | 4V5 | 0.507042 | 0.82 |
11 | SIZ | 0.446154 | 0.77551 |
12 | STZ | 0.441176 | 0.650794 |
13 | BGN | 0.432836 | 0.730769 |
14 | YX1 | 0.426471 | 0.650794 |
15 | 9C1 | 0.42029 | 0.795918 |
16 | JP5 | 0.416667 | 0.672727 |
17 | A2G MBN GAL | 0.416667 | 0.877551 |
18 | SZS | 0.402439 | 0.64 |
This union binding pocket(no: 1) in the query (biounit: 5bre.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5bre.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |