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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: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 4MU7 | ic50 = 1.4 nM | 2DY | C34 H45 N5 O4 | CC[C@@H](C.... |
2 | 4LGE | ic50 = 3.5 nM | 1Y0 | C30 H43 N5 O4 | C[C@@H](C(.... |
3 | 4HY4 | ic50 = 2.7 nM | 1BG | C30 H45 N5 O3 | C[C@@H](C(.... |
4 | 1OXQ | Ki = 0.5 uM | ALA VAL PRO ILE ALA GLN LYS SER GLU | n/a | n/a |
5 | 3D9U | Kd = 85 nM | ALA VAL PRO ILE ALA GLN | n/a | n/a |
6 | 5OQW | ic50 < 40 nM | A4E | C30 H43 F N5 O3 | C[C@@H]1CN.... |
7 | 6H6R | - | FUE | C32 H36 F N5 O2 | C[C@@H]1CN.... |
8 | 3UW5 | Ki = 0.014 uM | MAA CHG PRO 0DQ | n/a | n/a |
9 | 1TW6 | Ki = 0.34 nM | ALA VAL PRO ILE ALA GLN LYS SER GLU | n/a | n/a |
10 | 2I3H | Ki = 0.04 uM | ALA VAL PRO TRP | n/a | n/a |
11 | 3F7H | - | 419 | C31 H42 N4 O3 | C[C@@H](C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ALA VAL PRO ILE ALA GLN LYS SER GLU | 1 | 1 |
2 | ALA VAL PRO ILE ALA GLN | 0.731183 | 0.961538 |
3 | ALA VAL PRO ILE ALA GLN LYS | 0.678161 | 0.96 |
4 | ALA VAL PRO ILE | 0.590909 | 0.923077 |
5 | ALA VAL PRO ALA | 0.534091 | 0.865385 |
6 | SER VAL PRO ILE | 0.484536 | 0.844828 |
7 | GLU ARG THR ILE PRO ILE THR ARG GLU | 0.483333 | 0.738462 |
8 | ASN LEU VAL PRO GLN VAL ALA THR VAL | 0.475806 | 0.830508 |
9 | ASN LEU VAL PRO THR VAL ALA THR VAL | 0.45 | 0.830508 |
10 | ASN LEU VAL PRO SER VAL ALA THR VAL | 0.447154 | 0.803279 |
11 | ASN LEU VAL PRO VAL VAL ALA THR VAL | 0.446281 | 0.830508 |
12 | ASN LEU VAL PRO MET VAL ALA THR VAL | 0.434109 | 0.777778 |
13 | ASN LEU VAL PRO MET VAL ALA VAL VAL | 0.432 | 0.830508 |
14 | ASN LEU VAL PRO MET VAL ALA ALA VAL | 0.432 | 0.830508 |
15 | ALA VAL PRO TRP | 0.426087 | 0.79661 |
16 | SER ALA GLU PRO VAL PRO LEU GLN LEU | 0.425197 | 0.803279 |
17 | SIN ALA ALA PRO LYS | 0.423077 | 0.867925 |
18 | GLN ARG SER THR SEP THR PRO ASN VAL HIS | 0.41791 | 0.701493 |
19 | GLN ASN TYR PRO ILE VAL GLN | 0.412214 | 0.806452 |
20 | ILE PRO ILE | 0.4 | 0.884615 |
No: | Ligand | Similarity coefficient |
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