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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 8 families. | |||||
1 | 1B74 | Ki = 50 mM | DGN | C5 H10 N2 O3 | C(CC(=O)N).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2JFV | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
2 | 2JFQ | - | DGL | C5 H9 N O4 | C(CC(=O)O).... |
3 | 2DWU | - | DGL | C5 H9 N O4 | C(CC(=O)O).... |
4 | 2JFO | - | DGL | C5 H9 N O4 | C(CC(=O)O).... |
5 | 2VVT | ic50 = 5.8 uM | I24 | C22 H28 F2 N6 O2 | CCCCOc1nc(.... |
6 | 2JFP | - | DGL | C5 H9 N O4 | C(CC(=O)O).... |
7 | 2OHV | Ki = 16 nM | NHL | C16 H17 N O4 | c1ccc2cc(c.... |
8 | 1B74 | Ki = 50 mM | DGN | C5 H10 N2 O3 | C(CC(=O)N).... |
9 | 1ZUW | - | DGL | C5 H9 N O4 | C(CC(=O)O).... |
10 | 2GZM | - | DGL | C5 H9 N O4 | C(CC(=O)O).... |
11 | 4B1F | - | KRH | C25 H26 N6 O2 | CC(C)CN1c2.... |
12 | 2JFY | - | DGL | C5 H9 N O4 | C(CC(=O)O).... |
13 | 2JFZ | Ki = 5.8 uM | 003 | C26 H25 N5 O2 | CC(C)CN1c2.... |
14 | 2W4I | ic50 = 0.5 uM | VGA | C22 H19 N3 O S | c1ccc(cc1).... |
15 | 2JFX | - | DGL | C5 H9 N O4 | C(CC(=O)O).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DGN | 1 | 1 |
2 | GLN | 1 | 1 |
3 | DGL | 0.62963 | 0.821429 |
4 | GLU | 0.62963 | 0.821429 |
5 | GGL | 0.62963 | 0.821429 |
6 | ONL | 0.586207 | 0.741935 |
7 | HGA | 0.53125 | 0.75 |
8 | DAB | 0.518519 | 0.65625 |
9 | HSE | 0.518519 | 0.6875 |
10 | MEQ | 0.515152 | 0.870968 |
11 | HCS | 0.5 | 0.645161 |
12 | API | 0.5 | 0.793103 |
13 | NVA | 0.5 | 0.666667 |
14 | ASN | 0.481481 | 0.833333 |
15 | UN1 | 0.46875 | 0.793103 |
16 | 11C | 0.46875 | 0.793103 |
17 | DBB | 0.461538 | 0.62069 |
18 | ABA | 0.461538 | 0.62069 |
19 | ORN | 0.451613 | 0.677419 |
20 | C2N | 0.444444 | 0.6 |
21 | NPI | 0.441176 | 0.766667 |
22 | NLE | 0.4375 | 0.625 |
23 | 26P | 0.428571 | 0.71875 |
24 | DAS | 0.428571 | 0.7 |
25 | ASP | 0.428571 | 0.7 |
26 | 3GC | 0.425 | 0.794118 |
27 | DLY | 0.424242 | 0.65625 |
28 | DHH | 0.411765 | 0.709677 |
29 | LYS | 0.411765 | 0.636364 |
30 | BGT | 0.405405 | 0.685714 |
31 | 2NP | 0.405405 | 0.611111 |
32 | KSN | 0.404762 | 0.870968 |
33 | 3O3 | 0.4 | 0.666667 |
34 | ONH | 0.4 | 0.605263 |
35 | AS2 | 0.4 | 0.75 |
This union binding pocket(no: 1) in the query (biounit: 1b74.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1b74.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |