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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 44 families. | |||||
1 | 2WGU | - | 42D | C11 H19 N O10 | COC(=O)N[C.... |
2 | 4XQA | Kd = 10.3 uM | 423 | C48 H75 N13 O27 | CC(=O)N[C@.... |
3 | 4XQB | Kd = 163.4 uM | 425 | C51 H81 N13 O27 | CC(=O)N[C@.... |
4 | 3N0I | Kd = 19 uM | BGC GAL SIA NGA GAL SIA | n/a | n/a |
5 | 1UXA | Kd = 5 mM | GAL SIA | n/a | n/a |
6 | 3QND | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
7 | 2WGT | - | 18D | C12 H21 N O9 | CCC(=O)N[C.... |
8 | 1UXB | Kd = 7 mM | 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 36 families. | |||||
1 | 2WGU | - | 42D | C11 H19 N O10 | COC(=O)N[C.... |
2 | 4XQA | Kd = 10.3 uM | 423 | C48 H75 N13 O27 | CC(=O)N[C@.... |
3 | 4XQB | Kd = 163.4 uM | 425 | C51 H81 N13 O27 | CC(=O)N[C@.... |
4 | 3N0I | Kd = 19 uM | BGC GAL SIA NGA GAL SIA | n/a | n/a |
5 | 1UXA | Kd = 5 mM | GAL SIA | n/a | n/a |
6 | 3QND | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
7 | 2WGT | - | 18D | C12 H21 N O9 | CCC(=O)N[C.... |
8 | 1UXB | Kd = 7 mM | GAL SIA | n/a | n/a |
9 | 6QU8 | - | SLB | C11 H19 N O9 | CC(=O)N[C@.... |
10 | 6QU6 | - | SLB | C11 H19 N O9 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 18D | 1 | 1 |
2 | NGC | 0.793103 | 0.934783 |
3 | NGE | 0.793103 | 0.934783 |
4 | SIA | 0.758621 | 0.955556 |
5 | SLB | 0.758621 | 0.955556 |
6 | 42D | 0.709677 | 0.84 |
7 | KDN | 0.532258 | 0.688889 |
8 | KDM | 0.532258 | 0.688889 |
9 | PH5 | 0.52439 | 0.865385 |
10 | MN0 | 0.521127 | 0.897959 |
11 | 79J | 0.493151 | 0.895833 |
12 | MNA | 0.478873 | 0.86 |
13 | SIA CMO | 0.472222 | 0.843137 |
14 | SIA SIA | 0.464286 | 0.796296 |
15 | SIA SIA SIA SIA SIA SIA SIA | 0.458824 | 0.796296 |
16 | SLB SIA SIA SIA SIA | 0.458824 | 0.796296 |
17 | SLB SIA SIA | 0.458824 | 0.796296 |
18 | SLB SIA SIA SIA | 0.458824 | 0.796296 |
19 | CNP | 0.447368 | 0.84 |
20 | KDO | 0.409091 | 0.673913 |
21 | FSI | 0.405405 | 0.86 |
22 | MBG NGC | 0.402174 | 0.846154 |
This union binding pocket(no: 1) in the query (biounit: 4xqa.bio1) has 53 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |