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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 13 families. | |||||
1 | 3NIL | - | ARG ASP ALA ALA | n/a | n/a |
2 | 3NIJ | - | HIS ILE ALA ALA | n/a | n/a |
3 | 3NIH | - | ARG ILE ALA ALA ALA | n/a | n/a |
4 | 3NII | - | LYS ILE ALA ALA | n/a | n/a |
5 | 3NIM | Kd = 17.7 uM | ARG ARG ALA ALA | n/a | n/a |
6 | 3NIK | Kd = 358.8 uM | ARG GLU ALA ALA | n/a | n/a |
7 | 3NIN | - | ARG LEU GLY GLU SER | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 12 families. | |||||
1 | 5TDC | Kd = 12.88 uM | NMM ILE PHE SER | n/a | n/a |
2 | 3NIL | - | ARG ASP ALA ALA | n/a | n/a |
3 | 3NIJ | - | HIS ILE ALA ALA | n/a | n/a |
4 | 3NIH | - | ARG ILE ALA ALA ALA | n/a | n/a |
5 | 3NII | - | LYS ILE ALA ALA | n/a | n/a |
6 | 3NIM | Kd = 17.7 uM | ARG ARG ALA ALA | n/a | n/a |
7 | 3NIK | Kd = 358.8 uM | ARG GLU ALA ALA | n/a | n/a |
8 | 3NIN | - | ARG LEU GLY GLU SER | n/a | n/a |
9 | 5TDB | Kd = 1.45 uM | DA2 ILE PHE SER | n/a | n/a |
10 | 3NY3 | Ka = 51900 M^-1 | ARG ILE PHE SER | n/a | n/a |
11 | 5TDA | - | ARG LEU TRP SER | n/a | n/a |
12 | 5TDD | Kd = 34 uM | HIS ILE PHE SER | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ARG ASP ALA ALA | 1 | 1 |
2 | ARG ILE ALA ALA ALA | 0.57971 | 0.826087 |
3 | ARG ARG ALA ALA | 0.527027 | 0.911111 |
4 | ARG GLY ASP | 0.520548 | 0.954545 |
5 | ARG GLU ALA ALA | 0.519481 | 0.954545 |
6 | ARG LEU GLY GLU SER | 0.513889 | 0.829787 |
7 | ARG SER MLZ SER ASP GLY | 0.505495 | 0.767857 |
8 | ARG SER ARG | 0.5 | 0.854167 |
9 | ARG GLY ASP ILE ASN ASN ASN VAL | 0.489583 | 0.826923 |
10 | ARG ALA ARG | 0.479452 | 0.863636 |
11 | GLU ALY ARG | 0.465116 | 0.893617 |
12 | ARG ARG ARG ARG TRP ARG GLU ARG GLN | 0.461538 | 0.75 |
13 | ARG ARG GLY ILE NH2 | 0.45 | 0.833333 |
14 | ASP ALA GLU PHE ARG HIS ASP | 0.445545 | 0.914894 |
15 | ARG GLY THR | 0.441558 | 0.893617 |
16 | ARG ARG GLY LEU NH2 | 0.4375 | 0.833333 |
17 | LYS ARG LYS | 0.435897 | 0.888889 |
18 | ACE ARG LYS VAL ARG MET 5XU | 0.433735 | 0.78 |
19 | ALA ARG THR ALA ALA THR ALA ARG LYS SER | 0.431818 | 0.836735 |
20 | GLY ARG GLY ASP SER PRO | 0.426966 | 0.893617 |
21 | ALA ALA LEU THR ARG ALA | 0.423913 | 0.82 |
22 | ALA ARG ALA ALA ALA ALA ALA ALA ALA | 0.423077 | 0.931818 |
23 | LYS ALA ALA ARG M3L SER ALA | 0.42 | 0.66129 |
24 | GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP | 0.418033 | 0.716667 |
25 | ARG ASP | 0.416667 | 0.976744 |
26 | VAL LEU ARG ASP ASP LEU LEU GLU ALA | 0.414894 | 0.895833 |
27 | ARG ARG GLY CYS NH2 | 0.4125 | 0.829787 |
28 | LYS ASP LYS | 0.410959 | 0.8 |
29 | GLU ASP LEU | 0.410959 | 0.717391 |
30 | ILE GLU ILE | 0.410959 | 0.695652 |
31 | GLN LEU ALA | 0.410959 | 0.652174 |
32 | PRO ALA ALA LYS ARG VAL LYS LEU ASP | 0.409091 | 0.829787 |
33 | ARG ILE MET GLU NH2 | 0.408602 | 0.84 |
34 | MET ARG THR GLY ASN ALA XSN | 0.407895 | 0.770833 |
35 | SER LYS SER MLZ ASP ARG LYS TYR THR LEU | 0.406593 | 0.672727 |
36 | ALA ARG | 0.405797 | 0.930233 |
37 | ALA ARG LYS LEU ASP | 0.404494 | 0.895833 |
38 | MET ALA ARG | 0.402439 | 0.836735 |
39 | ILE LYS ARG SER MLZ LYS ASN SER LEU ALA | 0.4 | 0.745455 |
40 | ARG ARG GLY MET NH2 | 0.4 | 0.784314 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 3nim.bio4) has 17 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |