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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 32 families. | |||||
1 | 3LGR | - | PDC | C7 H5 N O4 | c1cc(nc(c1.... |
2 | 4HK9 | - | XYP XYP XYP | n/a | n/a |
3 | 6K9R | - | XYP XYP XYP | n/a | n/a |
4 | 4HK8 | - | XYP XYP XYP XYP XYP XYP | n/a | n/a |
5 | 4HKW | - | XYS XYP XYP | n/a | n/a |
6 | 6JWB | - | XYP XYP XYP | n/a | n/a |
7 | 6KWD | - | XYP XYP XYP | n/a | n/a |
8 | 6KWF | - | XYP XYP XYP | n/a | n/a |
9 | 6KWG | - | XYP XYP XYP | n/a | n/a |
10 | 6JXL | - | XYP XYP XYP | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 19 families. | |||||
1 | 3LGR | - | PDC | C7 H5 N O4 | c1cc(nc(c1.... |
2 | 4HK9 | - | XYP XYP XYP | n/a | n/a |
3 | 6K9R | - | XYP XYP XYP | n/a | n/a |
4 | 4HK8 | - | XYP XYP XYP XYP XYP XYP | n/a | n/a |
5 | 4HKW | - | XYS XYP XYP | n/a | n/a |
6 | 6JWB | - | XYP XYP XYP | n/a | n/a |
7 | 6KWD | - | XYP XYP XYP | n/a | n/a |
8 | 6KWF | - | XYP XYP XYP | n/a | n/a |
9 | 6KWG | - | XYP XYP XYP | n/a | n/a |
10 | 6JXL | - | XYP XYP XYP | n/a | n/a |
11 | 2VGD | - | XYP XYP | n/a | n/a |
12 | 1BCX | - | XYP XYP | n/a | n/a |
13 | 5TZO | Kd = 5.9 uM | 7V7 | C22 H28 N2 O | CCC(=O)N(c.... |
14 | 2QZ3 | - | XYP XYP XYP | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | XYP XYP XYP | 1 | 1 |
2 | XYP XYP XYP XYP XYP XYP XYP | 0.559322 | 0.969697 |
3 | XYP XYP XYP XYP XYP XYP | 0.559322 | 0.969697 |
4 | XYP XYP XYP XYP XYP | 0.559322 | 0.969697 |
5 | XYP XYP XYP XYP | 0.540984 | 0.914286 |
6 | XYP TRS XYP | 0.470588 | 0.695652 |
7 | XYS AZI XYS | 0.461538 | 0.64 |
8 | XYS XYS XYS | 0.446154 | 0.941176 |
9 | XYS NPO XYS | 0.445946 | 0.603774 |
10 | XYS AHR XYP XYP XYP | 0.441558 | 0.864865 |
11 | XYS GLC GLC | 0.426667 | 0.914286 |
12 | XIL | 0.426471 | 0.702128 |
13 | XDL XYP | 0.426471 | 0.702128 |
14 | XYP XYP | 0.42623 | 0.885714 |
15 | XYP XYP XYP AHR XYP | 0.414634 | 0.864865 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | XYS XYP XYP | 0.9664 |
2 | XYP XYP AHR | 0.9188 |
3 | XYS XYP AHR | 0.9027 |
4 | Z4U TWY TWY | 0.9006 |
5 | C19 | 0.8959 |
6 | B8O | 0.8883 |
7 | BGC BGC BGC | 0.8869 |
8 | GLC BGC BGC | 0.8853 |
9 | GCS GCS GCS | 0.8773 |
10 | WTI | 0.8728 |
11 | DLK | 0.8699 |
12 | 38O | 0.8678 |
13 | 2YO | 0.8673 |
14 | SQO | 0.8667 |
15 | CR9 | 0.8658 |
16 | 2YM | 0.8629 |
17 | MKP | 0.8525 |