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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 426 families. | |||||
1 | 1AFB | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
2 | 1KWW | - | MFU | C7 H14 O5 | C[C@H]1[C@.... |
3 | 1KX0 | - | MAN MAN | n/a | n/a |
4 | 1KWZ | - | MAN MAN | n/a | n/a |
5 | 1AFA | - | MBG | C7 H14 O6 | CO[C@H]1[C.... |
6 | 3KMB | - | FUC | C6 H12 O5 | C[C@H]1[C@.... |
7 | 2KMB | - | NAG GAL SIA FUC | n/a | n/a |
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 |
---|
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MAG FUC GAL SIA | 1 | 1 |
2 | NAG FUC GAL SIA | 0.833333 | 0.962264 |
3 | GAL NAG FUC GAL SIA | 0.821429 | 0.962264 |
4 | NGS FUC GLA SIA | 0.733333 | 0.761194 |
5 | A2G GAL SIA | 0.666667 | 0.962264 |
6 | NAG GAL SIA | 0.660714 | 0.962264 |
7 | GAL SIA NGA GAL SIA | 0.65812 | 0.962264 |
8 | GAL NGA GAL SIA | 0.644068 | 0.962264 |
9 | NAG GAL SIA SIA | 0.625 | 0.944444 |
10 | BGC GAL SIA NGA GAL SIA | 0.624 | 0.962264 |
11 | NGA GAL SIA | 0.618644 | 0.980769 |
12 | GAL SIA NGA GAL SIA SIA | 0.617188 | 0.944444 |
13 | BGC GAL SIA NGA GAL FUC | 0.616541 | 0.962264 |
14 | BGC GAL SIA SIA | 0.612903 | 0.944444 |
15 | NDG GAL SIA SIA | 0.61157 | 0.910714 |
16 | NAG GAL NGC | 0.608333 | 0.925926 |
17 | BGC GAL GLA NGA GAL SIA | 0.606299 | 0.962264 |
18 | GAL NGA GAL SIA SIA | 0.6 | 0.944444 |
19 | NGS GAL SIA | 0.593496 | 0.761194 |
20 | MBG NGC | 0.590909 | 0.943396 |
21 | SIA GAL NGA GAL | 0.590164 | 0.962264 |
22 | BGC GAL SIA NGA GAL | 0.581395 | 0.962264 |
23 | GAL SIA NGA GAL | 0.577236 | 0.944444 |
24 | NGA POL GAL NGC AZI | 0.569231 | 0.757576 |
25 | GLC GAL NGC | 0.566667 | 0.888889 |
26 | MAG FUC SGA | 0.563636 | 0.757576 |
27 | 2FG SIA | 0.558559 | 0.859649 |
28 | BGC CEQ GAL SLB NGA GAL SIA SIA | 0.554795 | 0.83871 |
29 | NAG 2FG SIA | 0.54918 | 0.894737 |
30 | GAL SIA SIA | 0.546219 | 0.944444 |
31 | Z3Q GAL 5N6 | 0.541985 | 0.809524 |
32 | BGC 16C GAL SIA | 0.537931 | 0.809524 |
33 | GAL SIA NGA | 0.532787 | 0.962264 |
34 | BGC GAL SIA NAG | 0.530769 | 0.962264 |
35 | BGC 18C GAL SIA | 0.530612 | 0.809524 |
36 | NAG GAL PKM | 0.52381 | 0.944444 |
37 | GAL 5N6 | 0.512821 | 0.925926 |
38 | BGC GAL SIA NGA SIA | 0.5 | 0.944444 |
39 | MAG FUC G4S | 0.5 | 0.731343 |
40 | MAG GAL FUC FUC | 0.490909 | 0.886792 |
41 | MAG FUC GAL FUC | 0.490909 | 0.886792 |
42 | BGC GAL SIA | 0.484127 | 0.907407 |
43 | GAL NAG GAL SIA | 0.480916 | 0.944444 |
44 | BGC 18C GAL SIA NGA GAL | 0.47561 | 0.809524 |
45 | NAG GAL NAG GAL SIA | 0.47482 | 0.944444 |
46 | BGC GAL NAG GAL SIA | 0.471429 | 0.944444 |
47 | CEQ BGC NGA GAL SIA SIA | 0.467532 | 0.8 |
48 | SIA CMO | 0.461538 | 0.90566 |
49 | GLA NAG FUC GAL | 0.453782 | 0.867925 |
50 | GAL SIA | 0.452174 | 0.888889 |
51 | MAG SGA FUC | 0.445378 | 0.716418 |
52 | GAL NAG FUC GAL | 0.444444 | 0.849057 |
53 | SIA SIA SIA | 0.434426 | 0.962264 |
54 | NAG GAL 5N6 | 0.423358 | 0.927273 |
55 | C4W NAG FUC BMA MAN NAG GAL SIA | 0.42236 | 0.822581 |
56 | SIA SIA | 0.420168 | 0.962264 |
57 | WIA SIA | 0.418033 | 0.894737 |
58 | SIA SIA SIA SIA SIA SIA SIA | 0.416667 | 0.962264 |
59 | SLB SIA SIA SIA SIA | 0.416667 | 0.962264 |
60 | SLB SIA SIA | 0.416667 | 0.962264 |
61 | SLB SIA SIA SIA | 0.416667 | 0.962264 |
62 | NAG FUC GAL | 0.415929 | 0.849057 |
63 | C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG | 0.415205 | 0.822581 |
64 | MNA | 0.411215 | 0.886792 |
65 | BGC GAL NAG GAL FUC FUC | 0.410853 | 0.867925 |
66 | GAL NAG GAL FUC FUC | 0.406504 | 0.867925 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NAG GAL SIA FUC | 1.0000 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MAG GAL SIA FUC | 0.9534 |
2 | NDG FUC GAL SIA | 0.9236 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MAG GAL SIA FUC | 1.0000 |
2 | MAG FUC GAL SIA | 0.9534 |
3 | NDG FUC GAL SIA | 0.9230 |
4 | NAG FUC GAL SIA | 0.8611 |
This union binding pocket(no: 1) in the query (biounit: 1bcj.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1bcj.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1bcj.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6PWS | MMA | 43.2836 |