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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 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 | GAL NGT | 1 | 1 |
2 | NGT GAL | 1 | 1 |
3 | BMA NGT MAN MAN | 0.547619 | 1 |
4 | GNL | 0.492063 | 0.9 |
5 | NGT | 0.492063 | 0.9 |
6 | NGT NAG | 0.463415 | 0.862069 |
7 | BQZ | 0.435484 | 0.6 |
8 | NDG GAL | 0.432432 | 0.606061 |
9 | NAG NAG NGT | 0.431818 | 0.847458 |
10 | TRE | 0.431034 | 0.66 |
11 | SN5 NGT | 0.428571 | 0.909091 |
12 | GLA EGA | 0.428571 | 0.666667 |
13 | DR5 | 0.426471 | 0.666667 |
14 | MMA MAN | 0.426471 | 0.666667 |
15 | MAN MMA | 0.426471 | 0.666667 |
16 | M13 | 0.426471 | 0.666667 |
17 | GAL MBG | 0.426471 | 0.666667 |
18 | MDM | 0.426471 | 0.666667 |
19 | LAT GLA | 0.424242 | 0.66 |
20 | GLA MBG | 0.424242 | 0.666667 |
21 | BGC BMA | 0.41791 | 0.66 |
22 | BMA BMA | 0.41791 | 0.66 |
23 | MAL | 0.41791 | 0.66 |
24 | BMA GAL | 0.41791 | 0.66 |
25 | B2G | 0.41791 | 0.66 |
26 | LB2 | 0.41791 | 0.66 |
27 | MAN GLC | 0.41791 | 0.66 |
28 | GLC BGC | 0.41791 | 0.66 |
29 | M3M | 0.41791 | 0.66 |
30 | BGC GAL | 0.41791 | 0.66 |
31 | LAT | 0.41791 | 0.66 |
32 | GLA GAL | 0.41791 | 0.66 |
33 | LBT | 0.41791 | 0.66 |
34 | GLA GLA | 0.41791 | 0.66 |
35 | GAL BGC | 0.41791 | 0.66 |
36 | CBI | 0.41791 | 0.66 |
37 | GLC GAL | 0.41791 | 0.66 |
38 | CBK | 0.41791 | 0.66 |
39 | N9S | 0.41791 | 0.66 |
40 | NGR | 0.41791 | 0.66 |
41 | GLC GLC | 0.41791 | 0.66 |
42 | MAB | 0.41791 | 0.66 |
43 | BMA MAN | 0.402985 | 0.66 |
44 | 2M4 | 0.402985 | 0.66 |
45 | BGC GLC | 0.402985 | 0.66 |
46 | MAL EDO | 0.402778 | 0.634615 |
47 | A2G GAL | 0.402597 | 0.633333 |
48 | DOM | 0.4 | 0.634615 |
49 | GLA GAL BGC 5VQ | 0.4 | 0.641509 |
50 | SN5 SN5 NGT | 0.4 | 0.909091 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GAL NGT | 1 | 1 |
2 | NGT GAL | 1 | 1 |
3 | BMA NGT MAN MAN | 0.547619 | 1 |
4 | GNL | 0.492063 | 0.9 |
5 | NGT | 0.492063 | 0.9 |
6 | NGT NAG | 0.463415 | 0.862069 |
7 | BQZ | 0.435484 | 0.6 |
8 | NDG GAL | 0.432432 | 0.606061 |
9 | NAG NAG NGT | 0.431818 | 0.847458 |
10 | TRE | 0.431034 | 0.66 |
11 | SN5 NGT | 0.428571 | 0.909091 |
12 | GLA EGA | 0.428571 | 0.666667 |
13 | DR5 | 0.426471 | 0.666667 |
14 | MMA MAN | 0.426471 | 0.666667 |
15 | MAN MMA | 0.426471 | 0.666667 |
16 | M13 | 0.426471 | 0.666667 |
17 | GAL MBG | 0.426471 | 0.666667 |
18 | MDM | 0.426471 | 0.666667 |
19 | LAT GLA | 0.424242 | 0.66 |
20 | GLA MBG | 0.424242 | 0.666667 |
21 | BGC BMA | 0.41791 | 0.66 |
22 | BMA BMA | 0.41791 | 0.66 |
23 | MAL | 0.41791 | 0.66 |
24 | BMA GAL | 0.41791 | 0.66 |
25 | B2G | 0.41791 | 0.66 |
26 | LB2 | 0.41791 | 0.66 |
27 | MAN GLC | 0.41791 | 0.66 |
28 | GLC BGC | 0.41791 | 0.66 |
29 | M3M | 0.41791 | 0.66 |
30 | BGC GAL | 0.41791 | 0.66 |
31 | LAT | 0.41791 | 0.66 |
32 | GLA GAL | 0.41791 | 0.66 |
33 | LBT | 0.41791 | 0.66 |
34 | GLA GLA | 0.41791 | 0.66 |
35 | GAL BGC | 0.41791 | 0.66 |
36 | CBI | 0.41791 | 0.66 |
37 | GLC GAL | 0.41791 | 0.66 |
38 | CBK | 0.41791 | 0.66 |
39 | N9S | 0.41791 | 0.66 |
40 | NGR | 0.41791 | 0.66 |
41 | GLC GLC | 0.41791 | 0.66 |
42 | MAB | 0.41791 | 0.66 |
43 | BMA MAN | 0.402985 | 0.66 |
44 | 2M4 | 0.402985 | 0.66 |
45 | BGC GLC | 0.402985 | 0.66 |
46 | MAL EDO | 0.402778 | 0.634615 |
47 | A2G GAL | 0.402597 | 0.633333 |
48 | DOM | 0.4 | 0.634615 |
49 | GLA GAL BGC 5VQ | 0.4 | 0.641509 |
50 | SN5 SN5 NGT | 0.4 | 0.909091 |
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 |