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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 1 families. | |||||
1 | 1KUI | Ki = 0.169 mM | PCA GLN TRP | n/a | n/a |
2 | 1KUG | Ki = 0.00016 M | PCA ASN TRP | n/a | n/a |
3 | 1KUK | Ki = 0.124 mM | PCA LYS TRP | n/a | n/a |
4 | 1R55 | - | 097 | C15 H29 N3 O5 | CC(C)C[C@H.... |
5 | 1DTH | ic50 = 6 nM | BAT | C23 H31 N3 O4 S2 | CC(C)C[C@H.... |
6 | 1ATL | Ki = 0.52 uM | 0QI | C17 H25 N O4 S | CC(C)C[C@H.... |
7 | 4DD8 | - | BAT | C23 H31 N3 O4 S2 | CC(C)C[C@H.... |
8 | 4AIG | ic50 = 0.3 uM | FLX | C21 H26 N3 O6 P | CC(C)C[C@@.... |
9 | 1YP1 | - | LYS ASN LEU | n/a | n/a |
10 | 2W12 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
11 | 2W15 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
12 | 2W13 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
13 | 2W14 | ic50 = 22.2 uM | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PCA ASN TRP | 1 | 1 |
2 | PCA GLN TRP | 0.8 | 0.918367 |
3 | PCA LYS TRP | 0.725275 | 0.849057 |
4 | GLU ASP ASN ASP TRP ASN | 0.510638 | 0.897959 |
5 | PRO GLY LEU TRP | 0.504673 | 0.77193 |
6 | ASP TRP ASN | 0.5 | 0.897959 |
7 | ACE GLU TRP TRP TRP | 0.494845 | 0.823529 |
8 | LYS TRP | 0.494624 | 0.735849 |
9 | ACE ASN PRO ASP TRP ASP PHE ASN NH2 | 0.487179 | 0.854545 |
10 | PRO SER ARG TRP | 0.486726 | 0.725806 |
11 | MET ASN TRP ASN ILE | 0.475728 | 0.830189 |
12 | TYR GLU TRP | 0.471154 | 0.826923 |
13 | TRP PRO TRP | 0.447619 | 0.711864 |
14 | PRO ALA TRP ASP GLU THR ASN LEU | 0.444444 | 0.770492 |
15 | ALA VAL PRO TRP | 0.441441 | 0.704918 |
16 | ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP | 0.438596 | 0.830189 |
17 | ACE ASN TRP GLU THR PHE | 0.438017 | 0.803571 |
18 | ASP ASP TRP ASN TRP GLU VAL GLU ASP | 0.434783 | 0.867925 |
19 | SER ARG ARG TRP ARG ARG TRP ASN ARG | 0.432203 | 0.730159 |
20 | ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE | 0.428571 | 0.745455 |
21 | ALA SER LEU ASN LEU PRO ALA VAL SER TRP | 0.422535 | 0.701493 |
22 | TRP GLU GLU LEU | 0.419048 | 0.792453 |
23 | LYS TRP LYS | 0.413462 | 0.792453 |
24 | PRO LEU PAT | 0.409091 | 0.621212 |
25 | ASP GLU ASP LYS TRP ASP ASP PHE | 0.408333 | 0.781818 |
26 | GLN ALA SER GLN GLU VAL LYS ASN TRP | 0.405797 | 0.766667 |
27 | ALA SER ASN GLU ASN TRP GLU THR MET | 0.403101 | 0.714286 |
28 | TRP GLY | 0.402174 | 0.784314 |
29 | R38 | 0.4 | 0.666667 |
30 | R59 | 0.4 | 0.666667 |
31 | GLU ASN ASP LYS TRP ALA SER | 0.4 | 0.775862 |
No: | Ligand | Similarity coefficient |
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