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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 44 families. | |||||
1 | 1RVZ | - | NAG GAL SIA | n/a | n/a |
2 | 1RVX | - | NAG GAL SIA | n/a | n/a |
3 | 1RV0 | - | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
4 | 1RVT | - | BGC GAL NAG GAL SIA | n/a | n/a |
5 | 4BH3 | Kd = 12 mM | NAG GAL SIA | n/a | n/a |
6 | 4CQW | - | NAG GAL SIA | n/a | n/a |
7 | 4BH0 | Kd = 21 mM | GAL SIA | n/a | n/a |
8 | 3ZNL | - | NGS FUC GLA SIA | n/a | n/a |
9 | 1JSO | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
10 | 3ZP2 | - | GAL SIA | n/a | n/a |
11 | 6VMZ | - | R3P | C15 H20 Cl2 N2 O | CC(C)N1CCC.... |
12 | 4CQY | - | NAG GAL SIA | n/a | n/a |
13 | 4BGX | Kd = 17 mM | GAL SIA | n/a | n/a |
14 | 4CQR | - | GAL SIA | n/a | n/a |
15 | 4BH4 | Kd = 32 mM | NAG GAL SIA | n/a | n/a |
16 | 1JSN | - | NAG GAL SIA | n/a | n/a |
17 | 4CQX | - | NAG GAL SIA | n/a | n/a |
18 | 4BH1 | Kd = 1.1 mM | NAG GAL SIA | n/a | n/a |
19 | 6CFG | - | EZ7 | C28 H27 N9 O3 | CC(=O)Nc1c.... |
20 | 4KDO | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
21 | 3ZNM | - | NAG FUC GLA SIA | n/a | n/a |
22 | 4KDN | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
23 | 4CQU | - | GAL SIA | n/a | n/a |
24 | 5AJM | - | NAG GAL SIA | n/a | n/a |
25 | 3UBQ | - | NAG GAL SIA | n/a | n/a |
26 | 3UBE | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
27 | 3UBJ | - | GAL SIA | n/a | n/a |
28 | 5VMF | Kd = 0.305 uM | NAG GAL SIA | n/a | n/a |
29 | 5VMC | - | NAG GAL SIA | n/a | n/a |
30 | 5VMG | - | NAG GAL SIA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 36 families. | |||||
1 | 1RVZ | - | NAG GAL SIA | n/a | n/a |
2 | 1RVX | - | NAG GAL SIA | n/a | n/a |
3 | 1RV0 | - | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
4 | 1RVT | - | BGC GAL NAG GAL SIA | n/a | n/a |
5 | 4BH3 | Kd = 12 mM | NAG GAL SIA | n/a | n/a |
6 | 4CQW | - | NAG GAL SIA | n/a | n/a |
7 | 4BH0 | Kd = 21 mM | GAL SIA | n/a | n/a |
8 | 3ZNL | - | NGS FUC GLA SIA | n/a | n/a |
9 | 1JSO | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
10 | 3ZP2 | - | GAL SIA | n/a | n/a |
11 | 6VMZ | - | R3P | C15 H20 Cl2 N2 O | CC(C)N1CCC.... |
12 | 4CQY | - | NAG GAL SIA | n/a | n/a |
13 | 4BGX | Kd = 17 mM | GAL SIA | n/a | n/a |
14 | 4CQR | - | GAL SIA | n/a | n/a |
15 | 4BH4 | Kd = 32 mM | NAG GAL SIA | n/a | n/a |
16 | 1JSN | - | NAG GAL SIA | n/a | n/a |
17 | 4CQX | - | NAG GAL SIA | n/a | n/a |
18 | 4BH1 | Kd = 1.1 mM | NAG GAL SIA | n/a | n/a |
19 | 6CFG | - | EZ7 | C28 H27 N9 O3 | CC(=O)Nc1c.... |
20 | 4KDO | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
21 | 3ZNM | - | NAG FUC GLA SIA | n/a | n/a |
22 | 4KDN | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
23 | 4CQU | - | GAL SIA | n/a | n/a |
24 | 5AJM | - | NAG GAL SIA | n/a | n/a |
25 | 6NSF | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
26 | 6BKT | - | NAG GAL SIA | n/a | n/a |
27 | 6AOS | - | NAG GAL SIA | n/a | n/a |
28 | 6BKS | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
29 | 6AOT | - | GAL SIA | n/a | n/a |
30 | 6NSG | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
31 | 6AOV | - | NAG GAL NAG GAL SIA | n/a | n/a |
32 | 6BKR | - | NAG GAL SIA | n/a | n/a |
33 | 3UBQ | - | NAG GAL SIA | n/a | n/a |
34 | 3UBE | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
35 | 3UBJ | - | GAL SIA | n/a | n/a |
36 | 6TVB | - | NAG GAL SIA | n/a | n/a |
37 | 6TXO | - | GAL SIA | n/a | n/a |
38 | 4D00 | - | NAG GAL SIA | n/a | n/a |
39 | 5TH1 | - | GAL SIA | n/a | n/a |
40 | 6TVT | - | GAL SIA | n/a | n/a |
41 | 6TVS | - | GAL SIA | n/a | n/a |
42 | 4CYZ | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
43 | 6TWI | - | NAG GAL SIA | n/a | n/a |
44 | 6TVA | - | NAG GAL SIA | n/a | n/a |
45 | 5TGU | - | NAG GAL SIA | n/a | n/a |
46 | 4N62 | - | NGS GAL SIA | n/a | n/a |
47 | 4BSH | - | GAL SIA | n/a | n/a |
48 | 6IDB | - | NAG GAL SIA | n/a | n/a |
49 | 4BSB | - | NAG GAL SIA | n/a | n/a |
50 | 4LN8 | - | NAG SIA | n/a | n/a |
51 | 4BSD | - | NAG GAL SIA | n/a | n/a |
52 | 4LKK | Kd = 0.33 uM | GAL SIA | n/a | n/a |
53 | 5T6S | - | 75U | C22 H25 Br N2 O3 S | CCOC(=O)c1.... |
54 | 1JSH | - | GAL SIA | n/a | n/a |
55 | 1JSI | - | GLC GAL NAG GAL SIA | n/a | n/a |
56 | 5XL7 | - | NAG GAL SIA | n/a | n/a |
57 | 5XL6 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
58 | 5XLC | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
59 | 5XL3 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
60 | 5XL4 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
61 | 5XLD | - | NAG GAL SIA | n/a | n/a |
62 | 5VTY | - | GAL SIA | n/a | n/a |
63 | 5VTR | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
64 | 5VTV | - | GAL SIA | n/a | n/a |
65 | 5VU4 | - | GAL SIA | n/a | n/a |
66 | 4WE5 | - | NAG NAG BMA | n/a | n/a |
67 | 6BKQ | - | NAG GAL SIA | n/a | n/a |
68 | 5VTW | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
69 | 3EYK | - | EYK | C10 H14 O2 | CC(C)(C)c1.... |
70 | 5VMF | Kd = 0.305 uM | NAG GAL SIA | n/a | n/a |
71 | 5VMC | - | NAG GAL SIA | n/a | n/a |
72 | 5VMG | - | NAG GAL SIA | n/a | n/a |
73 | 4XKF | - | NAG GAL SIA | n/a | n/a |
74 | 5BR6 | - | NAG GAL SIA | n/a | n/a |
75 | 4XKG | - | SIA GAL | n/a | n/a |
76 | 4XKE | - | NAG GAL SIA | n/a | n/a |
77 | 5T0E | - | GAL SIA | n/a | n/a |
78 | 5T0B | - | NAG GAL SIA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GAL SIA | 1 | 1 |
2 | NAG SIA | 0.710843 | 0.909091 |
3 | SIA CMO | 0.635135 | 0.867925 |
4 | BGC GAL SIA | 0.608247 | 0.980392 |
5 | NDG GAL SIA SIA | 0.592233 | 0.909091 |
6 | GAL NAG GAL SIA | 0.567308 | 0.943396 |
7 | NAG GAL SIA SIA | 0.561905 | 0.943396 |
8 | MNA | 0.558442 | 0.849057 |
9 | 2FG SIA | 0.543478 | 0.890909 |
10 | SIA SIA | 0.516484 | 0.888889 |
11 | NAG GAL NAG GAL SIA | 0.513043 | 0.943396 |
12 | SLB SIA SIA SIA | 0.51087 | 0.888889 |
13 | SLB SIA SIA SIA SIA | 0.51087 | 0.888889 |
14 | SLB SIA SIA | 0.51087 | 0.888889 |
15 | SIA SIA SIA SIA SIA SIA SIA | 0.51087 | 0.888889 |
16 | GAL SIA NGA GAL | 0.509259 | 0.943396 |
17 | BGC GAL NAG GAL SIA | 0.508621 | 0.943396 |
18 | NAG GAL 5N6 | 0.504587 | 0.925926 |
19 | GAL SIA SIA | 0.5 | 0.907407 |
20 | A2G GAL SIA | 0.495146 | 0.924528 |
21 | NAG GAL SIA | 0.490385 | 0.924528 |
22 | GAL SIA NGA | 0.485714 | 0.924528 |
23 | SIA SIA SIA | 0.484536 | 0.888889 |
24 | GAL 5N6 | 0.474747 | 0.924528 |
25 | NGS GAL SIA | 0.473214 | 0.731343 |
26 | SIA GAL NGA GAL | 0.468468 | 0.924528 |
27 | GAL NGA GAL SIA | 0.468468 | 0.924528 |
28 | GAL SIA NGA GAL SIA | 0.468468 | 0.924528 |
29 | NAG FUC GAL SIA | 0.464912 | 0.924528 |
30 | NAG 2FG SIA | 0.462963 | 0.859649 |
31 | SIA | 0.4625 | 0.86 |
32 | SLB | 0.4625 | 0.86 |
33 | MBG NGC | 0.454545 | 0.90566 |
34 | NGA GAL SIA | 0.454545 | 0.90566 |
35 | CNP | 0.453488 | 0.796296 |
36 | MAG FUC GAL SIA | 0.452174 | 0.888889 |
37 | NGS FUC GLA SIA | 0.45082 | 0.731343 |
38 | WIA SIA | 0.44898 | 0.892857 |
39 | MN0 | 0.447059 | 0.849057 |
40 | NAG GAL NGC | 0.446429 | 0.924528 |
41 | GAL NAG FUC GAL SIA | 0.441667 | 0.924528 |
42 | BGC GAL SIA NAG | 0.435897 | 0.924528 |
43 | BGC GAL SIA NGA GAL SIA | 0.433333 | 0.924528 |
44 | BGC GAL SIA SIA | 0.432203 | 0.907407 |
45 | BGC GAL GLA NGA GAL SIA | 0.429752 | 0.924528 |
46 | BGC GAL SIA NGA GAL | 0.429752 | 0.924528 |
47 | SID | 0.426966 | 0.781818 |
48 | C5P SIA | 0.425 | 0.662162 |
49 | MUS | 0.423077 | 0.793103 |
50 | GAL SIA NGA GAL SIA SIA | 0.419355 | 0.907407 |
51 | NXD | 0.417582 | 0.789474 |
52 | GAL NGA GAL SIA SIA | 0.416 | 0.907407 |
53 | C4W NAG FUC BMA MAN NAG GAL SIA | 0.414286 | 0.819672 |
54 | 423 | 0.407407 | 0.636364 |
55 | 6KL | 0.406977 | 0.77193 |
56 | GLY PRO ALA THR PRO ALA PRO A2G SIA | 0.406897 | 0.724638 |
57 | NGA POL GAL NGC AZI | 0.406504 | 0.753846 |
58 | GLC GAL NGC | 0.401786 | 0.923077 |
59 | PH5 | 0.4 | 0.888889 |
60 | 425 | 0.4 | 0.636364 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SIA GAL | 0.9514 |
This union binding pocket(no: 1) in the query (biounit: 3ubq.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3ubq.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |