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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 2 families. | |||||
1 | 6NP5 | Kd = 27 uM | 9CS | C18 H37 N5 O10 | C1[C@@H]([.... |
2 | 6NP3 | Kd = 0.34 uM | LLL | C19 H39 N5 O7 | C[C@@]1(CO.... |
3 | 6NP2 | Kd = 0.16 uM | SIS | C19 H37 N5 O7 | C[C@@]1(CO.... |
4 | 6NP4 | Kd = 36 uM | TOY | C18 H37 N5 O9 | C1[C@@H]([.... |
5 | 6BC3 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
6 | 6BC5 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
7 | 6O5U | Kd = 42 uM | KAN | C18 H36 N4 O11 | C1[C@H]([C.... |
8 | 6BC7 | - | SIS | C19 H37 N5 O7 | C[C@@]1(CO.... |
9 | 6BC2 | - | DVM | C21 H39 N5 O8 | CC(=O)N[C@.... |
10 | 6BC4 | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6NP5 | Kd = 27 uM | 9CS | C18 H37 N5 O10 | C1[C@@H]([.... |
2 | 6NP3 | Kd = 0.34 uM | LLL | C19 H39 N5 O7 | C[C@@]1(CO.... |
3 | 6NP2 | Kd = 0.16 uM | SIS | C19 H37 N5 O7 | C[C@@]1(CO.... |
4 | 6NP4 | Kd = 36 uM | TOY | C18 H37 N5 O9 | C1[C@@H]([.... |
5 | 6BC3 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
6 | 6BC5 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
7 | 6O5U | Kd = 42 uM | KAN | C18 H36 N4 O11 | C1[C@H]([C.... |
8 | 6BC7 | - | SIS | C19 H37 N5 O7 | C[C@@]1(CO.... |
9 | 6BC2 | - | DVM | C21 H39 N5 O8 | CC(=O)N[C@.... |
10 | 6BC4 | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 9CS | 1 | 1 |
2 | KNC | 0.833333 | 0.978261 |
3 | CK0 | 0.765625 | 1 |
4 | KAN | 0.75 | 1 |
5 | 7QM | 0.7 | 0.958333 |
6 | TOY | 0.642857 | 0.957447 |
7 | XXX | 0.6 | 0.913043 |
8 | CJX | 0.590909 | 1 |
9 | RIO | 0.569444 | 0.958333 |
10 | 7XP | 0.540541 | 0.978261 |
11 | NMY | 0.519481 | 0.958333 |
12 | PAR | 0.5 | 0.958333 |
13 | 827 | 0.47619 | 0.849057 |
14 | AKN | 0.473118 | 0.901961 |
15 | B31 | 0.43956 | 0.867925 |
This union binding pocket(no: 1) in the query (biounit: 6np2.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |