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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 3 families. | |||||
1 | 1J8V | Ki = 243.2 uM | LAM | C24 H35 N O17 S | c1cc(ccc1[.... |
2 | 1IEX | - | SGC BGC | n/a | n/a |
3 | 6MI1 | Kd = 0.000000064 M | U1Y BGC | n/a | n/a |
4 | 1X38 | Ki = 1.7 nM | IDD | C14 H16 N2 O4 | c1ccc(cc1).... |
5 | 1X39 | Ki = 0.6 nM | IDE | C15 H19 N3 O4 | c1ccc(cc1).... |
6 | 1EX1 | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
7 | 6MD6 | Ki = 0.00255 M | U2A BGC | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1J8V | Ki = 243.2 uM | LAM | C24 H35 N O17 S | c1cc(ccc1[.... |
2 | 1IEX | - | SGC BGC | n/a | n/a |
3 | 6MI1 | Kd = 0.000000064 M | U1Y BGC | n/a | n/a |
4 | 1X38 | Ki = 1.7 nM | IDD | C14 H16 N2 O4 | c1ccc(cc1).... |
5 | 1X39 | Ki = 0.6 nM | IDE | C15 H19 N3 O4 | c1ccc(cc1).... |
6 | 1EX1 | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
7 | 6MD6 | Ki = 0.00255 M | U2A BGC | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LAM | 1 | 1 |
2 | MBE | 0.530864 | 0.910714 |
3 | PNA | 0.530864 | 0.910714 |
4 | PNG | 0.530864 | 0.910714 |
5 | 147 | 0.530864 | 0.910714 |
6 | GLA NPO | 0.530864 | 0.910714 |
7 | NBZ GLA | 0.530864 | 0.910714 |
8 | PNW | 0.530864 | 0.910714 |
9 | KHP | 0.5125 | 0.844828 |
10 | NPJ | 0.505495 | 0.946429 |
11 | RCB | 0.494624 | 0.946429 |
12 | A2G NPO GAL | 0.479592 | 0.80303 |
13 | Z4R MAN | 0.464286 | 0.62069 |
14 | NGB | 0.442105 | 0.946429 |
15 | PNJ | 0.426966 | 0.836066 |
16 | LEC NGA | 0.423077 | 0.791045 |
17 | LEC | 0.421053 | 0.772727 |
18 | 6ZC | 0.421053 | 0.772727 |
19 | NSQ | 0.402174 | 0.704225 |
This union binding pocket(no: 1) in the query (biounit: 1x39.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4I3G | BGC | 22.093 |
2 | 6KJ0 | XYP | 36.3787 |