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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 1331 families. | |||||
1 | 3NIF | - | NIF | C11 H15 N5 O S | CCC1=NN2C(.... |
2 | 3ZDY | - | GLY ARG GLY ASP SER PRO | n/a | n/a |
3 | 3ZE2 | - | GLY ARG GLY ASP SER PRO | n/a | n/a |
4 | 2VDR | - | LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3GJF | Kd = 46 nM | SER LEU LEU MET TRP ILE THR GLN VAL | n/a | n/a |
2 | 2ZPK | - | PRO ARG GLY TYR PRO GLY GLN VAL | n/a | n/a |
3 | 3NIF | - | NIF | C11 H15 N5 O S | CCC1=NN2C(.... |
4 | 3ZDY | - | GLY ARG GLY ASP SER PRO | n/a | n/a |
5 | 3ZE2 | - | GLY ARG GLY ASP SER PRO | n/a | n/a |
6 | 2VDR | - | LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL | n/a | n/a |
7 | 3WFD | - | AXO | C2 H5 N O | C/C=N/O |
8 | 4XTR | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
9 | 1W72 | Kd = 14 nM | GLU ALA ASP PRO THR GLY HIS SER TYR | n/a | n/a |
10 | 6O24 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
11 | 6ID4 | Kd = 0.000000064 M | ALA ILE PHE GLN SER SER MET THR LYS | n/a | n/a |
12 | 5X2N | - | ALA | C3 H7 N O2 | C[C@@H](C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLY ARG GLY ASP SER PRO | 1 | 1 |
2 | GLU ARG GLY SER GLY ARG | 0.520833 | 0.938776 |
3 | LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL | 0.490566 | 0.843137 |
4 | ARG GLY ASP | 0.465116 | 0.934783 |
5 | ALA ILE ARG SER | 0.446809 | 0.84 |
6 | ALA ARG M3L SER | 0.442105 | 0.677419 |
7 | ARG ARG GLY CYS NH2 | 0.438202 | 0.816327 |
8 | ARG ARG GLY LEU NH2 | 0.428571 | 0.784314 |
9 | ARG ASP ALA ALA | 0.426966 | 0.893617 |
10 | ARG ARG GLY ILE NH2 | 0.423913 | 0.784314 |
11 | ARG GLY ASP ILE ASN ASN ASN VAL | 0.423423 | 0.781818 |
12 | GLU ARG GLY MET THR | 0.415094 | 0.814815 |
13 | ILE LYS ARG SER LYS LYS ASN SER LEU ALA | 0.412371 | 0.86 |
14 | ARG ARG GLY MET NH2 | 0.410526 | 0.740741 |
15 | ASP GLN GLY ARG GLY ARG ARG ARG PRO | 0.410256 | 0.716667 |
16 | GLY ASP GLU VAL LYS VAL PHE ARG | 0.408 | 0.796296 |
17 | GLY LEU LEU GLY SER PRO VAL ARG ALA | 0.408 | 0.741935 |
18 | VAL ALA PHE ARG SER | 0.407407 | 0.807692 |
19 | THR ALA ARG M3L SER THR | 0.40625 | 0.677419 |
20 | PCA PHE ARG HIS ASP SER GLY TYR GLU VAL | 0.40458 | 0.779661 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 3ze2.bio2) has 20 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |