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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- 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 | 4LNG | - | JAN | C27 H22 Cl2 N4 O | Cn1cncc1[C.... |
2 | 4MBG | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
3 | 4L9P | - | FII | C17 H30 N O5 P | CC(=CCC/C(.... |
4 | 4LNB | - | ED5 | C32 H42 N6 O4 S | Cc1ccccc1S.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4LNG | - | JAN | C27 H22 Cl2 N4 O | Cn1cncc1[C.... |
2 | 4MBG | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
3 | 4L9P | - | FII | C17 H30 N O5 P | CC(=CCC/C(.... |
4 | 4LNB | - | ED5 | C32 H42 N6 O4 S | Cc1ccccc1S.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FII | 1 | 1 |
2 | DSL | 0.553571 | 0.603448 |
3 | 0K3 | 0.553571 | 0.603448 |
4 | FJP | 0.553571 | 0.614035 |
5 | GRG | 0.507937 | 0.666667 |
6 | FPP | 0.507937 | 0.666667 |
7 | VTP | 0.507937 | 0.655172 |
8 | OTP | 0.507937 | 0.655172 |
9 | ZTP | 0.507937 | 0.655172 |
10 | FPQ | 0.5 | 0.683333 |
11 | GPP | 0.444444 | 0.649123 |
12 | C0X | 0.444444 | 0.622951 |
13 | FPS | 0.41791 | 0.6 |
14 | GGS | 0.41791 | 0.6 |
15 | FFF | 0.402778 | 0.633333 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LYS CYS VAL VAL MET | 1 | 1 |
2 | THR LYS CYS VAL VAL MET | 0.7 | 0.897959 |
3 | LYS VAL LYS | 0.6 | 0.844444 |
4 | LYS CYS LYS | 0.571429 | 0.822222 |
5 | LYS MET LYS | 0.567568 | 0.911111 |
6 | THR LYS CYS VAL PHE MET | 0.53 | 0.846154 |
7 | CYS VAL PHE MET | 0.488889 | 0.851064 |
8 | LYS THR LYS | 0.480519 | 0.755102 |
9 | LYS ILE LYS | 0.474359 | 0.826087 |
10 | LYS LEU LYS | 0.448718 | 0.866667 |
11 | MET CYS LEU ARG MET THR ALA VAL MET | 0.447368 | 0.767857 |
12 | LYS SER LYS | 0.447368 | 0.734694 |
13 | LYS LYS LYS | 0.445946 | 0.777778 |
14 | LYS LEU VAL VAL VAL ALA VAL GLY VAL | 0.443299 | 0.866667 |
15 | LYS LEU VAL VAL GLY ALA VAL GLY VAL | 0.443299 | 0.847826 |
16 | LYS LEU VAL VAL VAL GLY ALA VAL GLY VAL | 0.443299 | 0.847826 |
17 | LYS NVA LYS | 0.441558 | 0.804348 |
18 | LYS DPP LYS | 0.44 | 0.765957 |
19 | LYS LEU VAL GLN LEU LEU THR THR THR | 0.438776 | 0.8 |
20 | LYS LEU THR PRO LEU CYS VAL THR LEU | 0.438596 | 0.66129 |
21 | MET CYS LEU ARG NLE THR ALA VAL MET | 0.435897 | 0.754386 |
22 | LYS NLE LYS | 0.435897 | 0.826087 |
23 | GLY SER LYS MET GLU GLU VAL ASP | 0.435644 | 0.846154 |
24 | LYS DAB LYS | 0.434211 | 0.782609 |
25 | LYS ALA LYS | 0.428571 | 0.8 |
26 | SER LEU LYS LEU MET THR THR VAL | 0.424242 | 0.88 |
27 | LYS ASP LYS | 0.423077 | 0.744681 |
28 | LYS ASN LYS | 0.417722 | 0.75 |
29 | LYS LYS LYS ALA | 0.417722 | 0.8 |
30 | LYS ALA SER VAL GLY | 0.41573 | 0.795918 |
31 | LYS ORN LYS | 0.414634 | 0.744681 |
32 | LYS ASN LEU | 0.414634 | 0.851064 |
33 | ASP THR GLU MET GLU GLU VAL ASP | 0.413043 | 0.8125 |
34 | LYS GLU LYS | 0.4125 | 0.76087 |
35 | ACE CYS VAL ILE MSE | 0.409091 | 0.833333 |
36 | LYS GLN LYS | 0.407407 | 0.76087 |
37 | GLY CYS VAL LEU SER | 0.406977 | 0.74 |
No: | Ligand | Similarity coefficient |
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No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 4l9p.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3DST | GRG | 38.0665 |
2 | 3Q78 | FPS | 47.5645 |