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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 1331 families. | |||||
1 | 6HPY | - | GKN | C20 H23 N O3 | CC(C)(C)c1.... |
2 | 6HT1 | Kd = 0.077 uM | GQ5 | C22 H24 N6 O | C[C@H]1CCC.... |
3 | 6HPW | Kd ~ 807 nM | GKT | C21 H23 I N4 O | Cc1ccc(cc1.... |
4 | 6HPZ | - | ALY | C8 H16 N2 O3 | CC(=O)NCCC.... |
5 | 6HT0 | Kd = 0.0058 uM | GQ8 | C24 H26 N6 O | C[C@H]1CCC.... |
6 | 6HPX | - | GKQ | C21 H23 Cl N4 O | c1cc(cc(c1.... |
7 | 5YYF | Kd = 0.33 uM | PHQ GLN THR ALA ARG LYS NH2 FOA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6HPY | - | GKN | C20 H23 N O3 | CC(C)(C)c1.... |
2 | 6HT1 | Kd = 0.077 uM | GQ5 | C22 H24 N6 O | C[C@H]1CCC.... |
3 | 6HPW | Kd ~ 807 nM | GKT | C21 H23 I N4 O | Cc1ccc(cc1.... |
4 | 6HPZ | - | ALY | C8 H16 N2 O3 | CC(=O)NCCC.... |
5 | 6HT0 | Kd = 0.0058 uM | GQ8 | C24 H26 N6 O | C[C@H]1CCC.... |
6 | 6HPX | - | GKQ | C21 H23 Cl N4 O | c1cc(cc(c1.... |
7 | 5YYF | Kd = 0.33 uM | PHQ GLN THR ALA ARG LYS NH2 FOA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PHQ GLN THR ALA ARG LYS NH2 FOA | 1 | 1 |
2 | ALA ARG THR M3L GLN THR ALA ARG | 0.463768 | 0.689189 |
3 | ACE GLN THR ALA ARG PRK SER THR | 0.457746 | 0.757576 |
4 | ALA GLN THR ALA ARG ALY SER THR | 0.454545 | 0.784615 |
5 | ALA ARG THR MLY GLN THR ALA ARG TYR | 0.453333 | 0.72 |
6 | ACE GLN THR ALA ARG KCR SER THR | 0.445205 | 0.769231 |
7 | ACE GLN THR ALA ARG BTK SER THR | 0.443662 | 0.731343 |
8 | ALA ARG THR LYS GLN THR ALA ARG LYS | 0.439716 | 0.793651 |
9 | PHQ LEU VAL ARG TYR | 0.438356 | 0.753623 |
10 | ALA ARG THR M3L GLN THR ALA ALA LYS ALA | 0.435374 | 0.689189 |
11 | ALA ARG THR MLZ GLN THR ALA ARG LYS | 0.427586 | 0.735294 |
12 | GLU ALA GLN THR ARG LEU | 0.422535 | 0.738462 |
13 | ACE GLU ALA GLN THR ARG LEU | 0.415493 | 0.727273 |
14 | ACE ALA ARG THR GLU VAL TYR NH2 | 0.412162 | 0.761194 |
15 | GLN THR ALA ARG M3L SER THR GLY | 0.410596 | 0.689189 |
16 | ALA DA2 THR M3L GLN THR ALA ARG ALA | 0.410256 | 0.689189 |
17 | ALA GLN PHE SER ALA SER ALA SER ARG | 0.409722 | 0.825397 |
18 | GLN THR ALA ARG M3L SER | 0.401361 | 0.689189 |
19 | ALA ARG THR ALY GLN THR ALA | 0.4 | 0.769231 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5yyf.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5IOK | ACE GLN THR ALA ARG KCR SER THR | 24.1135 |