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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 24 families. | |||||
1 | 4SLI | - | CNP | C14 H23 N O8 | CC(=O)N[C@.... |
2 | 3SLI | - | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
3 | 2SLI | - | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
4 | 1SLI | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
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 | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CNP | 1 | 1 |
2 | SIA | 0.58209 | 0.875 |
3 | SLB | 0.58209 | 0.875 |
4 | MNA | 0.57971 | 0.792453 |
5 | SIA CMO | 0.549296 | 0.777778 |
6 | SFJ | 0.486111 | 0.807692 |
7 | FSI | 0.479452 | 0.792453 |
8 | 79J | 0.467532 | 0.823529 |
9 | SIA SIA | 0.45977 | 0.767857 |
10 | SIA SIA SIA SIA SIA SIA SIA | 0.454545 | 0.767857 |
11 | SLB SIA SIA SIA | 0.454545 | 0.767857 |
12 | SLB SIA SIA SIA SIA | 0.454545 | 0.767857 |
13 | SLB SIA SIA | 0.454545 | 0.767857 |
14 | MN0 | 0.454545 | 0.792453 |
15 | GAL SIA | 0.453488 | 0.796296 |
16 | 18D | 0.447368 | 0.84 |
17 | 6KL | 0.447368 | 0.75 |
18 | 42D | 0.447368 | 0.773585 |
19 | NGC | 0.44 | 0.82 |
20 | NGE | 0.44 | 0.82 |
21 | NXD | 0.439024 | 0.736842 |
22 | SID | 0.432099 | 0.727273 |
23 | SIA SIA SIA | 0.430108 | 0.767857 |
24 | MUS | 0.427083 | 0.741379 |
25 | WIA SIA | 0.423913 | 0.716667 |
26 | NAG SIA | 0.423913 | 0.758621 |
27 | 2FG SIA | 0.423913 | 0.741379 |
28 | SKD | 0.407895 | 0.773585 |
29 | RP6 | 0.407407 | 0.897959 |
30 | EQP | 0.402597 | 0.732143 |
31 | AXP | 0.402597 | 0.732143 |
This union binding pocket(no: 1) in the query (biounit: 4sli.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |