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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 214 families. | |||||
1 | 1OXN | Ki = 2.1 uM | ALA GLU ALA VAL PRO TRP LYS SER GLU | n/a | n/a |
2 | 1OXQ | Ki = 0.5 uM | ALA VAL PRO ILE ALA GLN LYS SER GLU | n/a | n/a |
3 | 3F7G | - | 389 | C27 H36 N4 O3 | C[C@@H](C(.... |
4 | 3UW5 | Ki = 0.014 uM | MAA CHG PRO 0DQ | n/a | n/a |
5 | 1TW6 | Ki = 0.34 nM | ALA VAL PRO ILE ALA GLN LYS SER GLU | n/a | n/a |
6 | 2I3H | Ki = 0.04 uM | ALA VAL PRO TRP | n/a | n/a |
7 | 3F7H | - | 419 | C31 H42 N4 O3 | C[C@@H](C(.... |
8 | 3GTA | - | 851 | C29 H36 N4 O2 S | C[C@@H](C(.... |
9 | 3GT9 | - | 516 | C29 H36 N4 O2 S | C[C@@H](C(.... |
10 | 2I3I | Ki = 0.05 uM | 618 | C25 H32 N6 O3 S | Cc1cc(n(n1.... |
11 | 3F7I | - | G13 | C28 H38 N4 O3 | C[C@@H](C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ALA GLU ALA VAL PRO TRP LYS SER GLU | 1 | 1 |
2 | ALA GLU ALA ALA GLN ALA | 0.617647 | 0.942857 |
3 | ILE SER GLU VAL | 0.542857 | 0.790698 |
4 | ARG GLU ALA ALA | 0.473684 | 0.75 |
5 | ALA DGL | 0.473684 | 0.911765 |
6 | TYR ASP GLN ILE ILE ILE | 0.466667 | 0.864865 |
7 | ALA ZGL | 0.465517 | 0.941176 |
8 | ALA LYS ALA ALA | 0.463768 | 0.769231 |
9 | ILE GLU ILE | 0.462687 | 0.916667 |
10 | ALA GLU ASP ASP VAL GLU | 0.44 | 0.894737 |
11 | ALA ARG ALA ALA ALA ALA ALA ALA ALA | 0.432432 | 0.727273 |
12 | PPN GLU ALA NLE SER | 0.419753 | 0.634615 |
13 | ALA LYS ALA SER GLN ALA ALA | 0.411765 | 0.727273 |
14 | ALA MET ARG VAL | 0.407407 | 0.632653 |
15 | ALA LYS ALA ILE ALA | 0.407407 | 0.731707 |
16 | ASP ALA ASP GLU GLU ASP PHE | 0.406977 | 0.804878 |
17 | ALA THR ALA ALA ALA THR GLU ALA TYR | 0.406593 | 0.717391 |
18 | ALA LEU ALA LEU | 0.402985 | 0.885714 |
19 | ALA ILE GLU THR ASA | 0.402439 | 0.785714 |
20 | LYS ALA ARG VAL LEU ALA GLU ALA MET SER | 0.4 | 0.693878 |
No: | Ligand | Similarity coefficient |
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