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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 | 3LLZ | Kd = 16 uM | NGA GAL | n/a | n/a |
2 | 3LM1 | Kd = 20 uM | LEC | C14 H18 N2 O8 | CC(=O)N[C@.... |
3 | 4R6O | Ka = 335000 M^-1 | ZZ1 GLA | n/a | n/a |
4 | 4R6N | Ka = 150 M^-1 | MBG | C7 H14 O6 | CO[C@H]1[C.... |
5 | 5JM1 | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
6 | 5J51 | - | GLA GLA | n/a | n/a |
7 | 5J4T | - | MBG | C7 H14 O6 | CO[C@H]1[C.... |
8 | 1UGX | Ka = 806000 M^-1 | MGC GAL | n/a | n/a |
9 | 4R6P | Ka = 12900 M^-1 | ZZ1 GAL | n/a | n/a |
10 | 1PXD | Ka = 6500 M^-1 | SFP | C44 H34 N4 O12 S4 | c1c(ccc(c1.... |
11 | 4R6R | Ka = 2370 M^-1 | 147 | C12 H15 N O8 | c1cc(ccc1[.... |
12 | 4AKB | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
13 | 1KUJ | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
14 | 1JOT | - | A2G GAL | n/a | n/a |
15 | 1JAC | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
16 | 1M26 | - | A2G GAL | n/a | n/a |
17 | 1TOQ | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 3LLZ | Kd = 16 uM | NGA GAL | n/a | n/a |
2 | 3LM1 | Kd = 20 uM | LEC | C14 H18 N2 O8 | CC(=O)N[C@.... |
3 | 4R6Q | Ka = 77900 M^-1 | NBZ GLA | n/a | n/a |
4 | 5J4X | - | MBG GAL | n/a | n/a |
5 | 4R6O | Ka = 335000 M^-1 | ZZ1 GLA | n/a | n/a |
6 | 4R6N | Ka = 150 M^-1 | MBG | C7 H14 O6 | CO[C@H]1[C.... |
7 | 5JM1 | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
8 | 5J51 | - | GLA GLA | n/a | n/a |
9 | 5J4T | - | MBG | C7 H14 O6 | CO[C@H]1[C.... |
10 | 1UGX | Ka = 806000 M^-1 | MGC GAL | n/a | n/a |
11 | 4R6P | Ka = 12900 M^-1 | ZZ1 GAL | n/a | n/a |
12 | 1PXD | Ka = 6500 M^-1 | SFP | C44 H34 N4 O12 S4 | c1c(ccc(c1.... |
13 | 4R6R | Ka = 2370 M^-1 | 147 | C12 H15 N O8 | c1cc(ccc1[.... |
14 | 4AKC | - | A2G GAL | n/a | n/a |
15 | 4AKB | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
16 | 1KUJ | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
17 | 1JOT | - | A2G GAL | n/a | n/a |
18 | 1JAC | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
19 | 1M26 | - | A2G GAL | n/a | n/a |
20 | 1TOQ | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NGA GAL | 1.0000 |
2 | A2G GAL | 0.9798 |
3 | MGC GAL | 0.9539 |
4 | NOK GAL | 0.9463 |
5 | GAL NOK | 0.9463 |
6 | NAG GAL | 0.9460 |
7 | NGA GCD | 0.9412 |
8 | LOG GAL | 0.9410 |
9 | NAG GAD | 0.9259 |
10 | NAG GCD | 0.9259 |
11 | NAG GC4 | 0.9197 |
12 | NDG GAD | 0.9187 |
13 | NAG BDP | 0.9133 |
14 | BGC GAL | 0.8996 |
15 | GAL NGT | 0.8989 |
16 | NGT GAL | 0.8989 |
17 | MBG GAL | 0.8960 |
18 | GLC GAL | 0.8910 |
19 | GAL GLA | 0.8845 |
20 | GAL GAL | 0.8844 |
21 | NDG GAL | 0.8805 |
22 | NGA NAG | 0.8800 |
23 | FRU GAL | 0.8776 |
24 | BGC BGC | 0.8747 |
25 | NOY BGC | 0.8729 |
26 | BMA GAL | 0.8712 |
27 | IFM BMA | 0.8660 |
28 | PA1 GCS | 0.8651 |
29 | 4WS GAL | 0.8600 |
30 | BMA BMA | 0.8588 |
31 | YIO GAL | 0.8576 |
32 | NG6 GCD | 0.8531 |
33 | GAL NAG | 0.8512 |
This union binding pocket(no: 1) in the query (biounit: 3llz.bio3) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |