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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 4 families. | |||||
1 | 3W37 | - | GLC GLC AC1 | n/a | n/a |
2 | 3WEO | Ki = 0.888 uM | GLC GLC GLC GLC GLC GLC AC1 | n/a | n/a |
3 | 3WEL | Ki = 2.66 uM | GLC GLC GLC AC1 | n/a | n/a |
4 | 3L4W | Ki = 1 uM | MIG | C8 H17 N O5 | C1[C@@H]([.... |
5 | 3L4X | Ki = 0.13 uM | NR3 | C12 H24 O12 S2 | C1[C@H]([C.... |
6 | 3L4Y | Ki = 0.1 uM | NR4 | C12 H24 O12 S2 | C1[C@H]([C.... |
7 | 3CTT | Ki = 0.45 uM | 3CU | C8 H15 N O5 | C1[C@@H]([.... |
8 | 3L4V | Ki = 0.19 uM | KTL | C12 H24 O12 S2 | C1[C@H]([C.... |
9 | 2QMJ | Ki = 62 uM | GLC GLC AC1 | n/a | n/a |
10 | 3L4T | Ki = 3.8 uM | BJ1 | C10 H20 O10 S2 | C1[C@H]([C.... |
11 | 3L4U | Ki = 0.03 uM | DSK | C12 H25 O9 S | C1[C@H]([C.... |
12 | 3L4Z | Ki = 0.19 uM | SSD | C9 H18 O9 S2 | C1[C@H]([C.... |
13 | 5NN4 | Kd = 11.57 mM | SC2 | C5 H9 N O3 S | CC(=O)N[C@.... |
14 | 5NN8 | - | GLC GLC AC1 | n/a | n/a |
15 | 5NN6 | Ki = 3 uM | MIG | C8 H17 N O5 | C1[C@@H]([.... |
16 | 5NN5 | Ki = 3.4 uM | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
17 | 3LPP | Ki = 0.6 uM | KTL | C12 H24 O12 S2 | C1[C@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLC GLC GLC GLC GLC GLC AC1 | 1 | 1 |
2 | GLC GLC GLC AC1 | 1 | 1 |
3 | GLC GLC G6D GLC ACI G6D ACI | 0.890244 | 0.959184 |
4 | GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI | 0.890244 | 0.959184 |
5 | GLC AC1 GLC AC1 | 0.890244 | 0.959184 |
6 | BGC GLC DAF GLC GLC GLC DAF | 0.802198 | 0.921569 |
7 | BGC GLC AC1 GLC AC1 | 0.802198 | 0.921569 |
8 | BGC GLC AC1 | 0.744444 | 1 |
9 | GLC GLC G6D GLC ACI GLC | 0.730337 | 1 |
10 | GLC GLC AC1 GLC GLC GLC | 0.730337 | 1 |
11 | GLC GLC AGL HMC GLC | 0.730337 | 1 |
12 | BGC GLC GLD GLC ACI GLD GLC ACI G6D | 0.730337 | 0.938776 |
13 | BGC GLC AGL GLC HMC AGL | 0.714286 | 0.938776 |
14 | GLC GLC G6D ACI | 0.685393 | 1 |
15 | GAL GLC GLD ACI | 0.577778 | 0.877551 |
16 | BGC GLC AGL GLC GLC GLC | 0.571429 | 0.86 |
17 | GLC AC1 | 0.531646 | 0.893617 |
18 | BGC G6D GLC ACI G6D ACI | 0.530612 | 0.843137 |
19 | GLC GLC GLC DAF DAF | 0.530612 | 0.843137 |
20 | BGC GLC AC1 GLC GLC GLC AC1 | 0.530612 | 0.843137 |
21 | GLC GLC GLC G6D ACI GLC GLC | 0.530612 | 0.877551 |
22 | BGC DAF | 0.522222 | 0.877551 |
23 | 7SA | 0.514563 | 0.918367 |
24 | GLC GLC AC1 | 0.512195 | 0.893617 |
25 | GLC BGC G6D ACI | 0.489796 | 0.877551 |
26 | GLC AGL HMC | 0.46875 | 0.897959 |
27 | GLC GLC GLC GLC BGC GLC GLC | 0.4625 | 0.702128 |
28 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.4625 | 0.702128 |
29 | MAN BMA BMA BMA BMA BMA BMA | 0.4625 | 0.702128 |
30 | G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D | 0.458824 | 0.6875 |
31 | AAO | 0.45283 | 0.957447 |
32 | ARE | 0.45283 | 0.957447 |
33 | ACG | 0.448598 | 0.916667 |
34 | GLC GLC AGL HMC | 0.433962 | 0.897959 |
35 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.431818 | 0.702128 |
36 | TXT | 0.43 | 0.836735 |
37 | BGC GAL FUC | 0.422222 | 0.723404 |
38 | GLC GAL BGC FUC | 0.422222 | 0.723404 |
39 | BMA BMA BMA BMA | 0.41573 | 0.666667 |
40 | BGC GAL NGA | 0.4 | 0.803922 |
No: | Ligand | Similarity coefficient |
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