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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 | 2MSB | Ki = 1.3 mM | NAG BMA MAN MAN MAN MAN MAN | n/a | n/a |
2 | 1KWY | - | MAN MAN | n/a | n/a |
3 | 1FIH | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
4 | 4KMB | - | MAG FUC G4S | n/a | n/a |
5 | 1BCH | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
6 | 1KWV | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
7 | 1BCJ | Kd = 0.2 mM | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
8 | 1KWX | - | MFB | C7 H14 O5 | C[C@H]1[C@.... |
9 | 1KWU | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
10 | 1KZD | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
11 | 1RDI | Ki = 8.8 mM | MFU | C7 H14 O5 | C[C@H]1[C@.... |
12 | 1RDL | Ki = 5.7 mM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
13 | 1KZC | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
14 | 1KZA | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
15 | 1KZE | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
16 | 1RDN | Ki = 14.4 mM | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
17 | 1RDK | Ki = 114 mM | GAL | C6 H12 O6 | C([C@@H]1[.... |
18 | 1KZB | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
19 | 1RDJ | Ki = 21.7 mM | MFB | C7 H14 O5 | C[C@H]1[C@.... |
20 | 1RDM | Ki = 5.7 mM | MMA | 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 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 |
---|---|---|---|
1 | MAG FUC G4S | 1 | 1 |
2 | MAG FUC SGA | 0.768293 | 0.969231 |
3 | MAG GAL FUC FUC | 0.670732 | 0.723077 |
4 | MAG FUC GAL FUC | 0.670732 | 0.723077 |
5 | MAG SGA FUC | 0.593407 | 0.953846 |
6 | NAG FUC GAL | 0.546512 | 0.692308 |
7 | GAL NAG FUC GAL | 0.526882 | 0.692308 |
8 | NDG FUC GAL FUC | 0.505495 | 0.707692 |
9 | NAG GAL FUC FUC | 0.505495 | 0.707692 |
10 | GLA NAG FUC GAL | 0.505155 | 0.681818 |
11 | MAG FUC GAL SIA | 0.5 | 0.731343 |
12 | GAL NAG GAL FUC FUC | 0.489796 | 0.707692 |
13 | NAG NON FUC GAL FUC | 0.480769 | 0.676056 |
14 | BGC GAL NAG GAL FUC FUC | 0.462264 | 0.707692 |
15 | NAG FUC | 0.458824 | 0.676923 |
16 | MGC GAL | 0.452381 | 0.707692 |
17 | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | 0.443396 | 0.727273 |
18 | NAG GAL FUC A2G | 0.44086 | 0.692308 |
19 | NAG GAL FUC | 0.43617 | 0.692308 |
20 | NAG FUC GAL FUC A2G | 0.428571 | 0.712121 |
21 | NAG GAL FUC FUC A2G | 0.428571 | 0.712121 |
22 | ASG IDR ASG IDR | 0.420561 | 0.969231 |
23 | NAG T45 FUC | 0.409524 | 0.625 |
24 | GAL NAG GAL FUC | 0.407767 | 0.671642 |
25 | GAL FUC A2G | 0.40625 | 0.692308 |
26 | GLA NAG GAL FUC | 0.405941 | 0.692308 |
27 | BGC FUC GAL NAG | 0.403846 | 0.692308 |
28 | NM9 NAG | 0.402062 | 0.716418 |
29 | NAG GAL FUC GLA | 0.401961 | 0.692308 |
30 | ASG GC4 | 0.4 | 0.909091 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MAG FUC GAL | 0.8903 |
2 | NDG FUC GAL | 0.8810 |
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 |