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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 18 families. | |||||
1 | 3H67 | - | NHC | C10 H14 O5 | C[C@]1([C@.... |
2 | 3H62 | - | NHC | C10 H14 O5 | C[C@]1([C@.... |
3 | 3H61 | - | ENL | C8 H10 O5 | C1C[C@@H]2.... |
4 | 3H69 | - | ENL | C8 H10 O5 | C1C[C@@H]2.... |
5 | 3H63 | - | NHC | C10 H14 O5 | C[C@]1([C@.... |
6 | 4ZX2 | - | 4TE | C9 H12 O5 | C[C@H]1C[C.... |
7 | 4ZVZ | - | 4TF | C12 H18 O6 | CCCOC[C@@H.... |
8 | 3H68 | - | NHC | C10 H14 O5 | C[C@]1([C@.... |
9 | 3H64 | - | ENL | C8 H10 O5 | C1C[C@@H]2.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 13 families. | |||||
1 | 3H67 | - | NHC | C10 H14 O5 | C[C@]1([C@.... |
2 | 3H62 | - | NHC | C10 H14 O5 | C[C@]1([C@.... |
3 | 3H61 | - | ENL | C8 H10 O5 | C1C[C@@H]2.... |
4 | 3H69 | - | ENL | C8 H10 O5 | C1C[C@@H]2.... |
5 | 3H63 | - | NHC | C10 H14 O5 | C[C@]1([C@.... |
6 | 4ZX2 | - | 4TE | C9 H12 O5 | C[C@H]1C[C.... |
7 | 4ZVZ | - | 4TF | C12 H18 O6 | CCCOC[C@@H.... |
8 | 3H68 | - | NHC | C10 H14 O5 | C[C@]1([C@.... |
9 | 3H64 | - | ENL | C8 H10 O5 | C1C[C@@H]2.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NHC | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ENL | 0.9483 |
2 | 4TE | 0.9199 |
3 | BFM | 0.9121 |
4 | CGB | 0.9055 |
5 | OFQ | 0.8961 |
6 | AI2 | 0.8942 |
7 | FUL | 0.8856 |
8 | MAN | 0.8830 |
9 | IPM | 0.8802 |
10 | CIT | 0.8788 |
11 | 7D2 | 0.8782 |
12 | ADA | 0.8781 |
13 | 7A2 | 0.8778 |
14 | FLC | 0.8771 |
15 | GLA | 0.8769 |
16 | FAC | 0.8755 |
17 | NTC | 0.8735 |
18 | X6X | 0.8724 |
19 | CAH | 0.8686 |
20 | FRU | 0.8685 |
21 | BMA | 0.8680 |
22 | BDF | 0.8659 |
23 | AMG | 0.8659 |
24 | CNL | 0.8651 |
25 | GAF | 0.8641 |
26 | GAL | 0.8622 |
27 | IUP | 0.8611 |
28 | GLC | 0.8592 |
29 | SF9 | 0.8590 |
30 | OAF | 0.8566 |
This union binding pocket(no: 1) in the query (biounit: 4zx2.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |