- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 6 families. | |||||
1 | 3AC9 | - | 8GD | C10 H15 N5 O11 P2 | C1[C@@H]([.... |
2 | 3L85 | - | 8OG | C10 H14 N5 O8 P | C1[C@@H]([.... |
3 | 3ACA | - | 8DD | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
4 | 2DSC | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
5 | 5NQR | ic50 = 70 nM | 958 | C19 H21 N7 O3 | Cc1cccc(c1.... |
6 | 3BM4 | - | ADV | C16 H25 N5 O13 P2 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 3AC9 | - | 8GD | C10 H15 N5 O11 P2 | C1[C@@H]([.... |
2 | 3L85 | - | 8OG | C10 H14 N5 O8 P | C1[C@@H]([.... |
3 | 3ACA | - | 8DD | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
4 | 2DSC | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
5 | 5NQR | ic50 = 70 nM | 958 | C19 H21 N7 O3 | Cc1cccc(c1.... |
6 | 3BM4 | - | ADV | C16 H25 N5 O13 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 8DD | 1 | 1 |
2 | 8OD | 0.629214 | 0.934211 |
3 | H6Y | 0.574468 | 0.934211 |
4 | 8GD | 0.520833 | 0.845238 |
5 | 8OP | 0.505376 | 0.921053 |
6 | 8OX | 0.5 | 0.805195 |
7 | TYD | 0.473118 | 0.8125 |
8 | 8DG | 0.470588 | 0.845238 |
9 | DUD | 0.467391 | 0.844156 |
10 | YYY | 0.457447 | 0.835443 |
11 | F6G | 0.44898 | 0.825 |
12 | TTP | 0.424242 | 0.8125 |
13 | DAT | 0.42 | 0.921053 |
14 | DUT | 0.418367 | 0.844156 |
15 | 6U4 | 0.415094 | 0.841463 |
16 | DCP | 0.41 | 0.835443 |
17 | 8OG | 0.4 | 0.833333 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AT4 | 0.8762 |
This union binding pocket(no: 1) in the query (biounit: 5nqr.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5nqr.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5nqr.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |