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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 21 families. | |||||
1 | 3NWQ | - | 2NC | C35 H68 N11 O8 | CCCC[C@@H].... |
2 | 3HBO | Kd = 8.2 uM | 2NC | C35 H68 N11 O8 | CCCC[C@@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 3NWQ | - | 2NC | C35 H68 N11 O8 | CCCC[C@@H].... |
2 | 3HBO | Kd = 8.2 uM | 2NC | C35 H68 N11 O8 | CCCC[C@@H].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2NC | 1 | 1 |
2 | KVI | 0.54386 | 0.981132 |
3 | UNX 2NC | 0.516949 | 1 |
4 | PRO ALA THR ILE MET MET GLN ARG GLY ASN | 0.508621 | 0.928571 |
5 | KVS | 0.508333 | 0.945455 |
6 | THR ILE MET MET GLN ARG GLY | 0.462185 | 0.912281 |
7 | ILE GLN GLN SER ILE GLU ARG ILE | 0.438017 | 0.890909 |
8 | THR ARG ARG GLU THR GLN LEU | 0.432203 | 0.875 |
9 | ALA ARG THR ALY GLN THR ALA | 0.428571 | 0.909091 |
10 | ACE GLU ALA GLN THR ARG LEU | 0.422764 | 0.857143 |
11 | ALA ASN SER ARG VAL GLN ASP SER ILE ILE | 0.418605 | 0.813559 |
12 | ARG ARG ARG GLU THR GLN VAL | 0.413793 | 0.857143 |
13 | GLU ALA GLN THR ARG LEU | 0.408 | 0.872727 |
14 | ALA ARG THR M3L GLN THR ALA 2MR LYS | 0.404959 | 0.809524 |
15 | SAC ARG GLY THR GLN THR GLU | 0.404762 | 0.842105 |
16 | ACE GLN THR ALA ARG PRK SER THR | 0.403101 | 0.927273 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3hbo.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3WSJ | MK1 | 20.202 |
2 | 3WSJ | MK1 | 20.202 |