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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 35 families. | |||||
1 | 4G1Z | - | 0VP | C31 H40 O4 | CCCc1cc(cc.... |
2 | 4RUJ | - | VDX | C27 H44 O3 | C[C@H](CCC.... |
3 | 5NKY | - | 91W | C28 H44 O4 | C[C@@H]([C.... |
4 | 6FOD | ic50 = 7.11 nM | E05 | C26 H38 O3 | CC/C(=CC=C.... |
5 | 6FO8 | ic50 = 18.4 nM | DZT | C30 H46 O3 | CCCCCC/C(=.... |
6 | 5OW9 | - | AYT | C27 H44 O2 | CC(C)CCC[C.... |
7 | 5E7V | ic50 = 2.9 nM | M7E | C26 H37 B10 O2 | B1234B567B.... |
8 | 5OW7 | - | AYK | C26 H41 N O3 | CC(C)NC(=O.... |
9 | 5OWD | - | B0B | C27 H42 O2 | CC(=CCC[C@.... |
10 | 2HC4 | - | VDX | C27 H44 O3 | C[C@H](CCC.... |
11 | 4G2H | - | 0VQ | C25 H26 F6 O3 | CC/C(=CC=C.... |
12 | 4FHH | ic50 = 35 nM | 0U3 | C27 H39 N O5 | CCC(CC)(c1.... |
13 | 4IA1 | - | BIV | C32 H54 O4 | C[C@]12CCC.... |
14 | 3O1E | - | H97 | C31 H44 F6 O4 | C[C@]12CCC.... |
15 | 4FHI | ic50 = 100 nM | 0S4 | C27 H39 N O5 | CCC(CC)(c1.... |
16 | 3O1D | - | G72 | C31 H44 F6 O4 | C[C@]12CCC.... |
17 | 5LGA | ic50 = 0.23 nM | 6VH | C32 H40 F6 O4 | C[C@]12CCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 25 families. | |||||
1 | 4G1Z | - | 0VP | C31 H40 O4 | CCCc1cc(cc.... |
2 | 4RUJ | - | VDX | C27 H44 O3 | C[C@H](CCC.... |
3 | 5NKY | - | 91W | C28 H44 O4 | C[C@@H]([C.... |
4 | 6FOD | ic50 = 7.11 nM | E05 | C26 H38 O3 | CC/C(=CC=C.... |
5 | 6FO8 | ic50 = 18.4 nM | DZT | C30 H46 O3 | CCCCCC/C(=.... |
6 | 5OW9 | - | AYT | C27 H44 O2 | CC(C)CCC[C.... |
7 | 5E7V | ic50 = 2.9 nM | M7E | C26 H37 B10 O2 | B1234B567B.... |
8 | 5OW7 | - | AYK | C26 H41 N O3 | CC(C)NC(=O.... |
9 | 5OWD | - | B0B | C27 H42 O2 | CC(=CCC[C@.... |
10 | 2HC4 | - | VDX | C27 H44 O3 | C[C@H](CCC.... |
11 | 4G2H | - | 0VQ | C25 H26 F6 O3 | CC/C(=CC=C.... |
12 | 4FHH | ic50 = 35 nM | 0U3 | C27 H39 N O5 | CCC(CC)(c1.... |
13 | 4IA1 | - | BIV | C32 H54 O4 | C[C@]12CCC.... |
14 | 3O1E | - | H97 | C31 H44 F6 O4 | C[C@]12CCC.... |
15 | 4FHI | ic50 = 100 nM | 0S4 | C27 H39 N O5 | CCC(CC)(c1.... |
16 | 3O1D | - | G72 | C31 H44 F6 O4 | C[C@]12CCC.... |
17 | 5LGA | ic50 = 0.23 nM | 6VH | C32 H40 F6 O4 | C[C@]12CCC.... |
18 | 5A86 | - | D7E | C18 H17 Cl F3 N3 O2 S | CCn1c2cc(c.... |
19 | 1NRL | - | SRL | C24 H42 O7 P2 | CCOP(=O)(C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6VH | 1 | 1 |
2 | BIV | 0.653061 | 0.833333 |
3 | VDX | 0.567308 | 0.833333 |
4 | 7ZU | 0.553398 | 0.829787 |
5 | G72 | 0.545455 | 0.9375 |
6 | KH1 | 0.545455 | 0.75 |
7 | H97 | 0.545455 | 0.9375 |
8 | JC1 | 0.542056 | 0.75 |
9 | 91W | 0.53271 | 0.764706 |
10 | FMV | 0.53211 | 0.735849 |
11 | 8J3 | 0.530973 | 0.833333 |
12 | 8J0 | 0.530973 | 0.833333 |
13 | MC9 | 0.52381 | 0.791667 |
14 | EB1 | 0.522523 | 0.8125 |
15 | TEJ | 0.504505 | 0.75 |
16 | ICJ | 0.5 | 0.816327 |
17 | M7E | 0.483051 | 0.634921 |
18 | 0CO | 0.473214 | 0.754717 |
19 | COV | 0.473214 | 0.754717 |
20 | TX5 | 0.471698 | 0.829787 |
21 | ZNE | 0.471074 | 0.65 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5lga.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5lga.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |