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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 LEU GLY GLU SER | 1 | 1 |
2 | ARG ARG GLY LEU NH2 | 0.555556 | 0.955556 |
3 | ASN VAL LEU GLY PHE THR GLN | 0.514286 | 0.744681 |
4 | ARG ASP ALA ALA | 0.513889 | 0.829787 |
5 | ARG SER MLZ SER ASP GLY | 0.488889 | 0.706897 |
6 | ARG ALA ARG | 0.478873 | 0.863636 |
7 | ARG ILE ALA ALA ALA | 0.472222 | 0.909091 |
8 | ARG ARG GLY ILE NH2 | 0.467532 | 0.913043 |
9 | ARG ARG ALA ALA | 0.466667 | 0.829787 |
10 | ARG SER ARG | 0.458333 | 0.711538 |
11 | ARG ARG GLY MET NH2 | 0.45 | 0.82 |
12 | ARG ARG GLY CYS NH2 | 0.447368 | 0.829787 |
13 | ARG ARG LEU ILE PHE NH2 | 0.446809 | 0.836735 |
14 | ARG GLU ALA ALA | 0.443038 | 0.869565 |
15 | ARG GLY THR | 0.44 | 0.816327 |
16 | ARG LEU TRP SER | 0.434343 | 0.683333 |
17 | ASN ARG LEU ILE LEU THR GLY | 0.433333 | 0.875 |
18 | GLY SEP LEU GLY | 0.428571 | 0.642857 |
19 | ARG LEU GLN ARG ARG ARG GLU THR GLN VAL | 0.428571 | 0.792453 |
20 | MET ARG THR GLY ASN ALA XSN | 0.424658 | 0.808511 |
21 | ARG SER LEU SEP ALA PRO GLY ASN | 0.423423 | 0.614286 |
22 | SER LEU ARG PHE LEU TYR GLU GLY | 0.422018 | 0.716667 |
23 | ARG GLY ASP | 0.421053 | 0.829787 |
24 | E64 | 0.418919 | 0.826923 |
25 | GLN LEU ALA | 0.408451 | 0.727273 |
26 | ALA ALA LEU THR ARG ALA | 0.406593 | 0.82 |
27 | ALA ARG LYS LEU ASP | 0.402299 | 0.857143 |
28 | MET ALA ARG | 0.4 | 0.8 |
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 |