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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 2 families. | |||||
1 | 1XQX | - | PCS | C10 H12 Cl N O | c1ccc(cc1).... |
2 | 1XQW | - | PHE LEU | n/a | n/a |
3 | 1XRP | - | PRO LEU GLY GLY | n/a | n/a |
4 | 1XRR | - | PRO | C5 H9 N O2 | C1C[C@H](N.... |
5 | 1XRO | - | LEU | C6 H13 N O2 | CC(C)C[C@@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1XQX | - | PCS | C10 H12 Cl N O | c1ccc(cc1).... |
2 | 1XQW | - | PHE LEU | n/a | n/a |
3 | 1XRP | - | PRO LEU GLY GLY | n/a | n/a |
4 | 1XRR | - | PRO | C5 H9 N O2 | C1C[C@H](N.... |
5 | 1XRO | - | LEU | C6 H13 N O2 | CC(C)C[C@@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PHE LEU | 1 | 1 |
2 | PHE ALA | 0.641509 | 0.909091 |
3 | PHE ALA GLN | 0.569231 | 0.810811 |
4 | ALA LEU ASP LEU PHE | 0.560606 | 0.891892 |
5 | ALA PHE | 0.553571 | 0.878788 |
6 | TYR GLY GLY PHE LEU | 0.530864 | 0.673469 |
7 | ASP PHE | 0.516667 | 0.783784 |
8 | TYR GLN PHE | 0.493151 | 0.644444 |
9 | LEU LEU LEU | 0.491228 | 0.857143 |
10 | ALA LEU | 0.490196 | 0.878788 |
11 | PHE LEU ALA TYR LYS | 0.47191 | 0.673469 |
12 | PHE LEU SER TYR LYS | 0.47191 | 0.622642 |
13 | TYR LEU PHE VAL GLN ARG ASP SER LYS GLU | 0.470588 | 0.8 |
14 | ACE PHE | 0.464286 | 0.705882 |
15 | TYR GLN GLU SER THR ASP PHE THR PHE LEU | 0.463415 | 0.75 |
16 | PHE GLY GLY | 0.457627 | 0.666667 |
17 | PHE LEU THR GLY ILE GLY ILE ILE THR VAL | 0.456522 | 0.702128 |
18 | BES | 0.447761 | 0.756098 |
19 | LEU SER PRO ASP SER PHE LEU ASN ASP | 0.444444 | 0.761905 |
20 | GLY PHE | 0.440678 | 0.736842 |
21 | TYR ASP GLN ILE LEU | 0.436782 | 0.733333 |
22 | TYR GLN SER LYS LEU | 0.436782 | 0.634615 |
23 | TRP GLU GLU LEU | 0.433735 | 0.702128 |
24 | GLU THR LEU GLU ASP SER VAL PHE | 0.428571 | 0.727273 |
25 | LYS LEU LEU PHE | 0.428571 | 0.738095 |
26 | PHE LEU SER THR LYS | 0.426966 | 0.653061 |
27 | ACE SER LEU ASN PHE | 0.4125 | 0.717391 |
28 | TRP LEU PHE VAL GLN ARG ASP SER LYS GLU | 0.411765 | 0.688889 |
29 | GLU ASP LEU | 0.409091 | 0.769231 |
30 | PHE VAL PHE LEU GLU ILE NH2 | 0.40625 | 0.804878 |
31 | ACE GLN LEU ALA LEU PHE | 0.402439 | 0.846154 |
32 | MET ASN TYR ASP ILE | 0.4 | 0.744186 |
This union binding pocket(no: 1) in the query (biounit: 1xro.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |