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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 5BXT | Ki = 52 uM | 4WS GAL | n/a | n/a |
2 | 5BXR | Ki = 0.88 uM | NOK GAL | n/a | n/a |
3 | 5BXS | Ki = 0.52 uM | GAL GC2 | n/a | n/a |
4 | 4JAW | Ki = 125 nM | GAL NGT | n/a | n/a |
5 | 5BXP | Ki = 7.7 uM | LOG GAL | n/a | n/a |
6 | 4H04 | - | NAG GAL | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 5BXT | Ki = 52 uM | 4WS GAL | n/a | n/a |
2 | 5BXR | Ki = 0.88 uM | NOK GAL | n/a | n/a |
3 | 5BXS | Ki = 0.52 uM | GAL GC2 | n/a | n/a |
4 | 4JAW | Ki = 125 nM | GAL NGT | n/a | n/a |
5 | 5BXP | Ki = 7.7 uM | LOG GAL | n/a | n/a |
6 | 4H04 | - | NAG GAL | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NOK GAL | 1 | 1 |
2 | GLC DMJ | 0.552239 | 0.833333 |
3 | NAG BMA | 0.549296 | 0.888889 |
4 | MAN G63 | 0.536232 | 0.888889 |
5 | NOJ GLC | 0.507246 | 0.833333 |
6 | GAL GC2 | 0.493827 | 0.828125 |
7 | A2G GAL | 0.486111 | 0.8 |
8 | TVD GAL | 0.486111 | 0.807018 |
9 | NAG GAL | 0.486111 | 0.8 |
10 | MGC GAL | 0.486111 | 0.77193 |
11 | LOG GAL | 0.467532 | 0.71875 |
12 | NAG NAG BMA | 0.464286 | 0.859649 |
13 | MAN MNM | 0.444444 | 0.803571 |
14 | MAN NAG GAL | 0.439024 | 0.8 |
15 | RZM | 0.434783 | 0.701754 |
16 | GAL NAG GAL | 0.433735 | 0.8 |
17 | NAG GAL GAL | 0.432099 | 0.8 |
18 | IFM BGC | 0.430556 | 0.75 |
19 | A2G SER GAL | 0.428571 | 0.875 |
20 | NOY BGC | 0.424658 | 0.803571 |
21 | A2G THR GAL | 0.423529 | 0.810345 |
22 | NAG FUC GAL | 0.421687 | 0.785714 |
23 | NAG NOJ NAG NAG | 0.420455 | 0.896552 |
24 | NAG NOJ NAG | 0.420455 | 0.912281 |
25 | NAG NAG BMA MAN | 0.419355 | 0.859649 |
26 | GCU BGC | 0.418919 | 0.6 |
27 | GLC U8V | 0.416667 | 0.607143 |
28 | GAL NAG GAL NAG GAL | 0.409091 | 0.789474 |
29 | BGC GAL NGA GAL | 0.406977 | 0.8 |
30 | NAG GAL FUC GLA | 0.406593 | 0.785714 |
31 | 2F8 | 0.405797 | 0.75 |
32 | MAG | 0.405797 | 0.75 |
33 | A2G NPO GAL | 0.404494 | 0.647887 |
34 | GAL A2G MBN | 0.402299 | 0.789474 |
35 | A2G MBN GAL | 0.402299 | 0.77193 |
36 | NAG GAL BGC GAL | 0.402299 | 0.8 |
37 | 3CU GLC | 0.4 | 0.693548 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GAL NOK | 0.9990 |
2 | GAL NGT | 0.9788 |
3 | NGT GAL | 0.9775 |
4 | 4WS GAL | 0.9530 |
5 | NGA GAL | 0.9463 |
6 | BGC GAL | 0.9310 |
7 | GLC GAL | 0.9310 |
8 | NAG GC4 | 0.9256 |
9 | NAG GCD | 0.9217 |
10 | BGC BGC | 0.9151 |
11 | NDG GAL | 0.9131 |
12 | FRU GAL | 0.9100 |
13 | NGA GCD | 0.9097 |
14 | GLC BGC | 0.9064 |
15 | SHG BGC | 0.9010 |
16 | BMA GAL | 0.8971 |
17 | NAG GAD | 0.8951 |
18 | NAG BDP | 0.8894 |
19 | ABL | 0.8840 |
20 | GCS GCS | 0.8823 |
21 | BMA BGC | 0.8749 |
22 | BGC Z9D | 0.8749 |
23 | PA1 GCS | 0.8714 |
24 | MGL GAL | 0.8627 |
25 | GAL GLA | 0.8602 |
26 | GAL GAL | 0.8559 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GAL NOK | 1.0000 |
2 | NOK GAL | 0.9990 |
3 | GAL NGT | 0.9782 |
4 | NGT GAL | 0.9779 |
5 | NAG GAL | 0.9750 |
6 | GAL GC2 | 0.9536 |
7 | LOG GAL | 0.9521 |
8 | 4WS GAL | 0.9471 |
9 | NGA GAL | 0.9463 |
10 | GLC GAL | 0.9310 |
11 | BGC GAL | 0.9310 |
12 | NAG GC4 | 0.9256 |
13 | NAG GCD | 0.9217 |
14 | BGC BGC | 0.9151 |
15 | NDG GAL | 0.9131 |
16 | GLC BGC | 0.9064 |
17 | FRU GAL | 0.9055 |
18 | SHG BGC | 0.9010 |
19 | BMA GAL | 0.8971 |
20 | NAG GAD | 0.8951 |
21 | NAG BDP | 0.8934 |
22 | NOY BGC | 0.8907 |
23 | BGC Z9D | 0.8884 |
24 | ABL | 0.8824 |
25 | GCS GCS | 0.8823 |
26 | IFM BGC | 0.8766 |
27 | PA1 GCS | 0.8739 |
28 | MGL GAL | 0.8716 |
29 | 9MR | 0.8582 |
30 | GAL GLA | 0.8575 |
This union binding pocket(no: 1) in the query (biounit: 4jaw.bio3) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4jaw.bio3) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4AZC | NGW | 32.1267 |
2 | 4AZC | NGW | 32.1267 |