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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 1331 families. | |||||
1 | 6RYM | - | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
2 | 6RYN | - | GN1 | C8 H16 N O9 P | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 3IKR | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
2 | 1PWB | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
3 | 3IKQ | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
4 | 3IKP | - | IPD | C6 H11 O9 P | [C@H]1([C@.... |
5 | 5OXS | - | K5B GMH GMH GLC | n/a | n/a |
6 | 5OXR | - | K5B GMH GMH | n/a | n/a |
7 | 3IKN | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
8 | 2MSB | Ki = 1.3 mM | NAG BMA MAN MAN MAN MAN MAN | n/a | n/a |
9 | 4DN8 | - | BMA | C6 H12 O6 | C([C@@H]1[.... |
10 | 1AFB | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
11 | 1KWW | - | MFU | C7 H14 O5 | C[C@H]1[C@.... |
12 | 1KX0 | - | MAN MAN | n/a | n/a |
13 | 1KWY | - | MAN MAN | n/a | n/a |
14 | 1FIH | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
15 | 4KMB | - | MAG FUC G4S | n/a | n/a |
16 | 1BCH | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
17 | 1KWV | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
18 | 1BCJ | Kd = 0.2 mM | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
19 | 1KWX | - | MFB | C7 H14 O5 | C[C@H]1[C@.... |
20 | 1KWU | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
21 | 1KWZ | - | MAN MAN | n/a | n/a |
22 | 1AFA | - | MBG | C7 H14 O6 | CO[C@H]1[C.... |
23 | 3KMB | - | FUC | C6 H12 O5 | C[C@H]1[C@.... |
24 | 2KMB | - | NAG GAL SIA FUC | n/a | n/a |
25 | 2RIA | ic50 = 2.7 mM | 289 | C7 H14 O7 | C([C@H]([C.... |
26 | 3G81 | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
27 | 2ORJ | - | BM3 | C8 H15 N O6 | CC(=O)N[C@.... |
28 | 2GGX | ic50 = 0.32 mM | NPJ | C18 H25 N O13 | c1cc(ccc1[.... |
29 | 2RIE | - | 293 | C7 H14 O6 | C1[C@H]([C.... |
30 | 2RIC | - | GMH GMH | n/a | n/a |
31 | 3G84 | - | MAN MAN | n/a | n/a |
32 | 2ORK | ic50 = 1.4 mM | IPD | C6 H11 O9 P | [C@H]1([C@.... |
33 | 2OS9 | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
34 | 2GGU | ic50 = 0.94 mM | GLC GLC GLC | n/a | n/a |
35 | 3G83 | - | MAN MAN | n/a | n/a |
36 | 2RID | ic50 = 1.7 mM | 291 | C11 H19 N O8 | C=CCO[C@@H.... |
37 | 6RYM | - | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
38 | 6RYN | - | GN1 | C8 H16 N O9 P | CC(=O)N[C@.... |
39 | 1KZD | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
40 | 1RDI | Ki = 8.8 mM | MFU | C7 H14 O5 | C[C@H]1[C@.... |
41 | 1RDL | Ki = 5.7 mM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
42 | 1KZC | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
43 | 1KZA | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
44 | 1KZE | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
45 | 1RDN | Ki = 14.4 mM | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
46 | 1RDK | Ki = 114 mM | GAL | C6 H12 O6 | C([C@@H]1[.... |
47 | 1KZB | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
48 | 1RDJ | Ki = 21.7 mM | MFB | C7 H14 O5 | C[C@H]1[C@.... |
49 | 1RDM | Ki = 5.7 mM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NG1 | 1 | 1 |
2 | GN1 | 1 | 1 |
3 | 2F8 | 0.647059 | 0.732143 |
4 | MAG | 0.647059 | 0.732143 |
5 | 3YW | 0.576271 | 0.745455 |
6 | BMX BMX BMX BM3 | 0.565217 | 0.864407 |
7 | 491 | 0.555556 | 0.944444 |
8 | GAL NAG | 0.555556 | 0.75 |
9 | SER A2G | 0.548387 | 0.728814 |
10 | TNR | 0.548387 | 0.741379 |
11 | A2G NAG | 0.539683 | 0.741379 |
12 | 57S | 0.536232 | 0.946429 |
13 | MAN NAG | 0.532258 | 0.75 |
14 | MBG A2G | 0.53125 | 0.724138 |
15 | GYU | 0.52381 | 0.698413 |
16 | HD4 | 0.521739 | 0.946429 |
17 | GDL NAG | 0.515625 | 0.741379 |
18 | MBG NAG | 0.515625 | 0.724138 |
19 | Q5S | 0.5 | 0.776119 |
20 | GAL NGA | 0.5 | 0.706897 |
21 | NDG NAG | 0.5 | 0.758621 |
22 | C30 | 0.5 | 0.776119 |
23 | GAL NGA A2G | 0.492754 | 0.741379 |
24 | HSQ | 0.490566 | 0.754717 |
25 | NAG | 0.490566 | 0.754717 |
26 | A2G | 0.490566 | 0.754717 |
27 | BM3 | 0.490566 | 0.754717 |
28 | NDG | 0.490566 | 0.754717 |
29 | NGA | 0.490566 | 0.754717 |
30 | 3QL | 0.485714 | 0.693548 |
31 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.485294 | 0.758621 |
32 | NAG NAG NAG NAG NAG NAG | 0.485294 | 0.758621 |
33 | NAG NAG NAG NAG NAG | 0.485294 | 0.758621 |
34 | NDG NAG NAG NAG NAG | 0.485294 | 0.758621 |
35 | XGP | 0.480769 | 0.754717 |
36 | G1P | 0.480769 | 0.754717 |
37 | M1P | 0.480769 | 0.754717 |
38 | GL1 | 0.480769 | 0.754717 |
39 | R1P | 0.48 | 0.690909 |
40 | LEC | 0.478261 | 0.701493 |
41 | 6ZC | 0.478261 | 0.701493 |
42 | BGC GAL NGA | 0.464789 | 0.75 |
43 | GYT | 0.464789 | 0.671642 |
44 | NAG NAG NAG NAG NAG NAG NAG | 0.459459 | 0.709677 |
45 | NAG NAG NAG | 0.459459 | 0.709677 |
46 | NAG NAG NAG NAG | 0.459459 | 0.709677 |
47 | NGT NAG | 0.453333 | 0.632353 |
48 | MMA MAN NAG | 0.452055 | 0.724138 |
49 | SNG | 0.448276 | 0.672414 |
50 | Z3Q NGA | 0.447368 | 0.671642 |
51 | A2G GAL NAG | 0.447368 | 0.741379 |
52 | TVD GAL | 0.446154 | 0.728814 |
53 | GAL FUC A2G | 0.445946 | 0.736842 |
54 | NAG NGO | 0.445946 | 0.65625 |
55 | BMA MAN NAG | 0.445946 | 0.75 |
56 | UD2 | 0.444444 | 0.753623 |
57 | UD1 | 0.444444 | 0.753623 |
58 | NM9 NAG | 0.44 | 0.733333 |
59 | NAG GAL NAG | 0.44 | 0.741379 |
60 | BGC GAL NAG | 0.44 | 0.75 |
61 | MAN MAN NAG | 0.44 | 0.724138 |
62 | Z4S NAG NAG | 0.435897 | 0.709677 |
63 | AMU NAG | 0.428571 | 0.745763 |
64 | GP1 | 0.428571 | 0.87037 |
65 | AH0 NAG | 0.428571 | 0.698413 |
66 | GFP | 0.428571 | 0.701754 |
67 | 16G | 0.42623 | 0.981132 |
68 | BMX | 0.42623 | 0.981132 |
69 | 4QY | 0.42623 | 0.981132 |
70 | NAG GAL | 0.424242 | 0.75 |
71 | A2G GAL | 0.424242 | 0.75 |
72 | MGC GAL | 0.424242 | 0.724138 |
73 | LEC NGA | 0.419753 | 0.671429 |
74 | NAG NGT NAG | 0.419753 | 0.647059 |
75 | 6Y2 | 0.419753 | 0.671429 |
76 | BMA Z4Y NAG | 0.419753 | 0.736842 |
77 | NBG | 0.418182 | 0.722222 |
78 | NAG NOJ NAG NAG | 0.417722 | 0.676923 |
79 | NAG NOJ NAG | 0.417722 | 0.661538 |
80 | MA8 | 0.414286 | 0.672131 |
81 | BGC GAL GLA NGA | 0.4125 | 0.75 |
82 | NAG BMA | 0.405797 | 0.683333 |
83 | ACE SER THR VAL GLY A2G | 0.404762 | 0.721311 |
84 | JXD | 0.404255 | 0.753623 |
85 | NAG AH0 | 0.402439 | 0.698413 |
86 | ACE SER SER VAL GLY A2G | 0.402299 | 0.709677 |
87 | MAN NAG GAL | 0.4 | 0.75 |
88 | GYP GZL NAG | 0.4 | 0.688525 |