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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 24 families. | |||||
1 | 4YZ2 | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
2 | 4YW5 | - | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
3 | 4YW2 | Kd = 1.6 mM | GAL SIA | n/a | n/a |
4 | 5F9T | - | SFJ | C11 H17 F2 N O8 | CC(=O)N[C@.... |
5 | 4YW3 | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
6 | 4YW1 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
7 | 4YZ4 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
8 | 4YZ5 | Kd = 1.48 mM | GLC 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 18 families. | |||||
1 | 2VK6 | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
2 | 2JKB | - | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
3 | 4FPF | ic50 = 38.9 uM | JKK | C9 H12 Cl N O3 S | c1cc(cc(c1.... |
4 | 4FOQ | - | TAU | C2 H7 N O3 S | C(CS(=O)(=.... |
5 | 4FPC | - | MFY | C9 H12 Cl N O3 S | c1cc(ccc1C.... |
6 | 4FOY | - | D53 | C9 H13 N O3 S | c1ccc(cc1).... |
7 | 4FPL | - | 7HV | C9 H11 Cl2 N O3 S | c1cc(c(cc1.... |
8 | 4FOW | - | A20 | C3 H9 N O3 S | C(CN)CS(=O.... |
9 | 4FPJ | - | D8I | C10 H15 N O4 S | COc1cccc(c.... |
10 | 4FPK | ic50 = 57.4 uM | IJ1 | C10 H15 N O3 S | Cc1cccc(c1.... |
11 | 4FQ4 | - | IJ4 | C10 H14 F N O3 S | Cc1cc(ccc1.... |
12 | 4FPY | - | 0V8 | C9 H12 Br N O3 S | c1cc(cc(c1.... |
13 | 4X6K | ic50 = 0.00487 mM | 3XR | C8 H15 N2 O5 | CC(=O)N[C@.... |
14 | 4X47 | ic50 = 1.41 mM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
15 | 4X4A | Ki = 2.37 mM | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
16 | 4YW5 | - | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
17 | 4YW2 | Kd = 1.6 mM | GAL SIA | n/a | n/a |
18 | 5F9T | - | SFJ | C11 H17 F2 N O8 | CC(=O)N[C@.... |
19 | 4YW3 | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
20 | 4YW1 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
21 | 4YZ4 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
22 | 4YZ5 | Kd = 1.48 mM | GLC GAL SIA | n/a | n/a |
23 | 4SLI | - | CNP | C14 H23 N O8 | CC(=O)N[C@.... |
24 | 3SLI | - | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
25 | 2SLI | - | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 0HX | 0.9804 |
2 | G28 | 0.9526 |
3 | 9AM | 0.9412 |
4 | DF4 | 0.9330 |
5 | EQP | 0.9274 |
6 | 49A | 0.9272 |
7 | DAN | 0.9193 |
8 | E3M | 0.9185 |
9 | GC9 | 0.9165 |
10 | 4AM | 0.9151 |
11 | SLB | 0.9133 |
12 | ST4 | 0.9005 |
13 | SIA | 0.8962 |
14 | NG1 | 0.8936 |
15 | 9GW | 0.8932 |
16 | AXP | 0.8927 |
17 | AMU | 0.8922 |
18 | 9GQ | 0.8861 |
19 | ST1 | 0.8840 |
20 | 9GT | 0.8823 |
21 | 9GN | 0.8808 |
22 | SKD | 0.8797 |
23 | KB8 | 0.8776 |
24 | ZY6 | 0.8767 |
25 | 5M8 | 0.8758 |
26 | NGE | 0.8739 |
27 | 9GZ | 0.8735 |
28 | ST5 | 0.8686 |
29 | QVK | 0.8673 |
30 | FDI | 0.8570 |
This union binding pocket(no: 1) in the query (biounit: 4yz5.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4yz5.bio2) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2V73 | SIA | 23.5602 |
This union binding pocket(no: 3) in the query (biounit: 4yz5.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |