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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 23 families. | |||||
1 | 1V3C | - | SLB | C11 H19 N O9 | CC(=O)N[C@.... |
2 | 6C0M | ic50 = 31.8 uM | 8LM | C21 H26 N4 O8 | CC(C)C(=O).... |
3 | 1V3D | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
4 | 5KV8 | ic50 = 3.9 uM | 6Y6 | C17 H26 N4 O8 | CC(C)C(=O).... |
5 | 4WEF | - | SFJ | C11 H17 F2 N O8 | CC(=O)N[C@.... |
6 | 1V3E | - | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
7 | 5KV9 | ic50 = 0.6 uM | I57 | C21 H26 N4 O7 | CC(C)C(=O).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 17 families. | |||||
1 | 1V3C | - | SLB | C11 H19 N O9 | CC(=O)N[C@.... |
2 | 6C0M | ic50 = 31.8 uM | 8LM | C21 H26 N4 O8 | CC(C)C(=O).... |
3 | 1V3D | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
4 | 5KV8 | ic50 = 3.9 uM | 6Y6 | C17 H26 N4 O8 | CC(C)C(=O).... |
5 | 4WEF | - | SFJ | C11 H17 F2 N O8 | CC(=O)N[C@.... |
6 | 1V3E | - | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
7 | 5KV9 | ic50 = 0.6 uM | I57 | C21 H26 N4 O7 | CC(C)C(=O).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SLB | 1 | 1 |
2 | SIA | 1 | 1 |
3 | 18D | 0.758621 | 0.955556 |
4 | 42D | 0.758621 | 0.875 |
5 | NGC | 0.754386 | 0.933333 |
6 | NGE | 0.754386 | 0.933333 |
7 | MNA | 0.629032 | 0.895833 |
8 | 79J | 0.615385 | 0.934783 |
9 | CNP | 0.58209 | 0.875 |
10 | KDN | 0.568965 | 0.72093 |
11 | KDM | 0.568965 | 0.72093 |
12 | SIA SIA | 0.565789 | 0.826923 |
13 | SLB SIA | 0.565789 | 0.826923 |
14 | SIA SIA SIA SIA SIA SIA SIA | 0.558442 | 0.826923 |
15 | SLB SIA SIA | 0.558442 | 0.826923 |
16 | FSI | 0.515152 | 0.895833 |
17 | 6KL | 0.5 | 0.807692 |
18 | SFJ | 0.5 | 0.875 |
19 | MN0 | 0.485714 | 0.895833 |
20 | AXP | 0.470588 | 0.788462 |
21 | EQP | 0.470588 | 0.788462 |
22 | GAL SIA | 0.463415 | 0.86 |
23 | SIA GAL | 0.463415 | 0.86 |
24 | SID | 0.459459 | 0.82 |
25 | SIA SIA SIA | 0.453488 | 0.826923 |
26 | MUS | 0.449438 | 0.796296 |
27 | NXD | 0.447368 | 0.792453 |
28 | SIA WIA | 0.447059 | 0.767857 |
29 | SIA 2FG | 0.447059 | 0.796296 |
30 | SLT | 0.44086 | 0.877551 |
31 | KDO | 0.435484 | 0.704545 |
32 | SIA NAG | 0.430233 | 0.781818 |
33 | 4U0 | 0.427083 | 0.86 |
34 | 4U2 | 0.425532 | 0.843137 |
35 | BND | 0.416667 | 0.807692 |
36 | SKD | 0.414286 | 0.875 |
37 | SIA SIA GAL | 0.410526 | 0.811321 |
38 | 4U1 | 0.408163 | 0.826923 |
39 | E3M | 0.402778 | 0.606061 |
40 | BGC GAL SIA | 0.402062 | 0.86 |
41 | GAL BGC SIA | 0.402062 | 0.86 |
42 | BGC SIA GAL | 0.402062 | 0.86 |
43 | GLA GLC SIA | 0.402062 | 0.86 |
44 | SIA GAL BGC | 0.402062 | 0.86 |
45 | SIA GAL GLC | 0.402062 | 0.86 |
46 | DAN | 0.4 | 0.911111 |
47 | 4AM | 0.4 | 0.833333 |
This union binding pocket(no: 1) in the query (biounit: 5kv9.bio2) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5kv9.bio2) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5kv9.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |