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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 15 families. | |||||
1 | 3OLE | Ki = 0.0147 uM | GLC GLC G6D GLC ACI G6D ACI | n/a | n/a |
2 | 5EMY | - | 5QP | C13 H24 O10 | C1[C@H]([C.... |
3 | 1XD0 | Ki = 0.075 uM | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
4 | 1U2Y | Ki = 18 mM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
5 | 3OLD | Ki = 1.2549 uM | GLC GLC G6D GLC ACI GLC | n/a | n/a |
6 | 1XH0 | - | AAO | C37 H63 N O28 | C[C@@H]1[C.... |
7 | 1XD1 | Ki = 0.012 uM | 6SA | C37 H63 N O28 | C[C@@H]1[C.... |
8 | 3CPU | - | GLC GLC | n/a | n/a |
9 | 1U33 | Ki = 25 uM | LM2 | C19 H34 N2 O15 | CO[C@@H]1[.... |
10 | 1XH2 | - | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
11 | 3OLG | Ki = 0.0143 uM | BGC GLC G6D GLC HSD G6D HSD | n/a | n/a |
12 | 3BAY | - | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
13 | 1Z32 | - | AGL GLC HMC | n/a | n/a |
14 | 3DHP | - | GLC GLC AGL HMC | n/a | n/a |
15 | 3IJ7 | - | GLF B8D | n/a | n/a |
16 | 5TD4 | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
17 | 3OLI | Ki = 0.0416 uM | GLC GLC G6D GLC HSD G6D HSD | n/a | n/a |
18 | 1U30 | Ki = 1.8 mM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
19 | 1XCX | - | BGC GLC AC1 | n/a | n/a |
20 | 4W93 | Ki = 8 nM | 3L9 | C53 H64 O33 | C[C@H]1[C@.... |
21 | 1CPU | - | GLC GLC AGL HMC GLC | n/a | n/a |
22 | 1XCW | - | GLC AC1 | n/a | n/a |
23 | 2QV4 | - | QV4 | C31 H53 N O23 | C[C@@H]1[C.... |
24 | 3IJ9 | - | B0D | C6 H10 F2 O5 | C([C@]1([C.... |
25 | 6OCN | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
26 | 3IJ8 | - | B0D | C6 H10 F2 O5 | C([C@]1([C.... |
27 | 6OBX | - | ZXU | C36 H32 N2 O12 | c1cc(ccc1C.... |
28 | 1NM9 | - | GLC AGL HMC | n/a | n/a |
29 | 4GQQ | - | 0XR | C11 H12 O4 | CCOC(=O)/C.... |
30 | 3BAJ | - | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
31 | 4GQR | Ki = 110 uM | MYC | C15 H10 O8 | c1c(cc(c(c.... |
32 | 1OSE | - | BGC AC1 GLC AC1 | n/a | n/a |
33 | 3L2M | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
34 | 1HX0 | - | GLC AC1 GLC AC1 | n/a | n/a |
35 | 1WO2 | - | BGC GLC GLC | n/a | n/a |
36 | 1JFH | Ki = 9 mM | MA3 MA2 | n/a | n/a |
37 | 3L2L | - | GLC GLC GLC GLC | n/a | n/a |
38 | 1UA3 | - | GLC GLC GLC | n/a | n/a |
39 | 1VAH | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
40 | 1PPI | Ki = 9.7 uM | BGC GLC DAF GLC | n/a | n/a |
41 | 1PIG | ic50 = 0.7 nM | BGC GLC AGL GLC HMC AGL | 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 | 3OLE | Ki = 0.0147 uM | GLC GLC G6D GLC ACI G6D ACI | n/a | n/a |
2 | 5EMY | - | 5QP | C13 H24 O10 | C1[C@H]([C.... |
3 | 1XD0 | Ki = 0.075 uM | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
4 | 1U2Y | Ki = 18 mM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
5 | 3OLD | Ki = 1.2549 uM | GLC GLC G6D GLC ACI GLC | n/a | n/a |
6 | 1XH0 | - | AAO | C37 H63 N O28 | C[C@@H]1[C.... |
7 | 1XD1 | Ki = 0.012 uM | 6SA | C37 H63 N O28 | C[C@@H]1[C.... |
8 | 3CPU | - | GLC GLC | n/a | n/a |
9 | 1U33 | Ki = 25 uM | LM2 | C19 H34 N2 O15 | CO[C@@H]1[.... |
10 | 1XH2 | - | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
11 | 3OLG | Ki = 0.0143 uM | BGC GLC G6D GLC HSD G6D HSD | n/a | n/a |
12 | 3BAY | - | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
13 | 1Z32 | - | AGL GLC HMC | n/a | n/a |
14 | 3DHP | - | GLC GLC AGL HMC | n/a | n/a |
15 | 3IJ7 | - | GLF B8D | n/a | n/a |
16 | 5TD4 | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
17 | 3OLI | Ki = 0.0416 uM | GLC GLC G6D GLC HSD G6D HSD | n/a | n/a |
18 | 1U30 | Ki = 1.8 mM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
19 | 1XCX | - | BGC GLC AC1 | n/a | n/a |
20 | 4W93 | Ki = 8 nM | 3L9 | C53 H64 O33 | C[C@H]1[C@.... |
21 | 1CPU | - | GLC GLC AGL HMC GLC | n/a | n/a |
22 | 1XCW | - | GLC AC1 | n/a | n/a |
23 | 2QV4 | - | QV4 | C31 H53 N O23 | C[C@@H]1[C.... |
24 | 3IJ9 | - | B0D | C6 H10 F2 O5 | C([C@]1([C.... |
25 | 6OCN | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
26 | 3IJ8 | - | B0D | C6 H10 F2 O5 | C([C@]1([C.... |
27 | 6OBX | - | ZXU | C36 H32 N2 O12 | c1cc(ccc1C.... |
28 | 1NM9 | - | GLC AGL HMC | n/a | n/a |
29 | 4GQQ | - | 0XR | C11 H12 O4 | CCOC(=O)/C.... |
30 | 3BAJ | - | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
31 | 4GQR | Ki = 110 uM | MYC | C15 H10 O8 | c1c(cc(c(c.... |
32 | 6M4M | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
33 | 1OSE | - | BGC AC1 GLC AC1 | n/a | n/a |
34 | 3L2M | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
35 | 1HX0 | - | GLC AC1 GLC AC1 | n/a | n/a |
36 | 1WO2 | - | BGC GLC GLC | n/a | n/a |
37 | 1JFH | Ki = 9 mM | MA3 MA2 | n/a | n/a |
38 | 3L2L | - | GLC GLC GLC GLC | n/a | n/a |
39 | 1UA3 | - | GLC GLC GLC | n/a | n/a |
40 | 1VAH | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
41 | 1PPI | Ki = 9.7 uM | BGC GLC DAF GLC | n/a | n/a |
42 | 1PIG | ic50 = 0.7 nM | BGC GLC AGL GLC HMC AGL | n/a | n/a |
43 | 1G94 | - | GLC GLC GLC DAF DAF | n/a | n/a |
44 | 1KXH | - | GLC GLC AC1 | n/a | n/a |
45 | 1G9H | - | BGC DAF | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ARE | 1 | 1 |
2 | AAO | 1 | 1 |
3 | ACG | 0.873563 | 0.956522 |
4 | 7SA | 0.842697 | 0.957447 |
5 | QV4 | 0.816092 | 1 |
6 | 6SA | 0.802083 | 1 |
7 | ABC | 0.776596 | 0.956522 |
8 | GLC GLC AC1 GLC GLC GLC | 0.60396 | 0.957447 |
9 | GLC GLC G6D GLC ACI GLC | 0.60396 | 0.957447 |
10 | GLC GLC AGL HMC GLC | 0.60396 | 0.957447 |
11 | GLC GLC G6D ACI | 0.564356 | 0.957447 |
12 | GLC GLC AGL HMC | 0.553398 | 0.93617 |
13 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.54321 | 0.733333 |
14 | GLC GLC GLC GLC BGC GLC GLC | 0.54321 | 0.733333 |
15 | MAN BMA BMA BMA BMA BMA BMA | 0.54321 | 0.733333 |
16 | TXT | 0.540816 | 0.87234 |
17 | BGC GLC GLD GLC ACI GLD GLC ACI G6D | 0.528302 | 0.897959 |
18 | GLC GLC G6D ADH GLC GLC | 0.521739 | 0.93617 |
19 | GLC GLC G6D GLC ACI G6D ACI | 0.495413 | 0.918367 |
20 | GLC AC1 GLC AC1 | 0.495413 | 0.918367 |
21 | GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI | 0.495413 | 0.918367 |
22 | BGC GAL NGA GAL | 0.494845 | 0.836735 |
23 | BGC GLC AGL GLC HMC AGL | 0.490909 | 0.897959 |
24 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.488889 | 0.733333 |
25 | BGC GAL NGA | 0.484211 | 0.836735 |
26 | BGC GLC AGL GLC GLC GLC | 0.480392 | 0.82 |
27 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.478723 | 0.733333 |
28 | BMA BMA BMA BMA GLA | 0.478723 | 0.733333 |
29 | GLC GLC AC1 | 0.466667 | 0.851064 |
30 | BGC GAL GLA NGA GAL | 0.466019 | 0.836735 |
31 | BGC GAL GLA NGA | 0.456311 | 0.836735 |
32 | BGC GAL FUC GLA | 0.454545 | 0.755556 |
33 | GLC GLC GLC GLC GLC GLC AC1 | 0.45283 | 0.957447 |
34 | GLC GLC GLC AC1 | 0.45283 | 0.957447 |
35 | BGC GLC GLC GLC | 0.452632 | 0.733333 |
36 | GLC GLC GLC GLC GLC | 0.452632 | 0.733333 |
37 | GLC GLC GLC G6D ACI GLC GLC | 0.449541 | 0.836735 |
38 | BGC GAL FUC | 0.446809 | 0.755556 |
39 | GLC GAL BGC FUC | 0.446809 | 0.755556 |
40 | BGC BGC BGC BGC BGC XYS | 0.446602 | 0.702128 |
41 | BGC BGC BGC XYS BGC XYS BGC XYS BGC | 0.446602 | 0.702128 |
42 | BGC BGC BGC BGC XYS BGC XYS BGC BGC | 0.446602 | 0.702128 |
43 | BGC GAL GLA | 0.444444 | 0.733333 |
44 | BMA BMA BMA BMA | 0.44086 | 0.695652 |
45 | G2F SHG BGC BGC | 0.43956 | 0.673469 |
46 | BGC GLA GAL | 0.428571 | 0.733333 |
47 | BGC BGC BGC XYS BGC XYS | 0.427184 | 0.702128 |
48 | BGC GAL NAG GAL | 0.427184 | 0.836735 |
49 | BGC FUC GAL | 0.425532 | 0.755556 |
50 | GLC BGC FUC GAL | 0.425532 | 0.755556 |
51 | GLC AGL HMC | 0.419048 | 0.93617 |
52 | GLC BGC G6D ACI | 0.412844 | 0.836735 |
53 | GLC GAL EMB GAL MEC | 0.412281 | 0.661017 |
54 | BGC GLC GLC | 0.410526 | 0.733333 |
55 | GLC GAL NAG GAL FUC GLA | 0.410256 | 0.82 |
56 | MAN BMA BMA | 0.408602 | 0.702128 |
57 | BGC GAL NAG | 0.407767 | 0.836735 |
58 | BGC BGC BGC XYS | 0.407767 | 0.702128 |
59 | BGC BGC BGC XYS BGC XYS GAL | 0.405405 | 0.702128 |
60 | FUC GAL | 0.404494 | 0.733333 |
61 | BGC GAL NAG GAL FUC | 0.403509 | 0.82 |
62 | GAL GLC GLD ACI | 0.401869 | 0.836735 |
63 | BGC GAL FUC A2G | 0.401786 | 0.82 |
64 | BGC BGC BGC XYS XYS GAL GAL | 0.4 | 0.702128 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BGC GLC DAF GLC | 0.9610 |
2 | BGC GLC GLC GLC GLC | 0.9260 |
This union binding pocket(no: 1) in the query (biounit: 4w93.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |