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- Structure Biounit | Ligand Information
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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 | 91W | 1 | 1 |
2 | 7ZU | 0.617021 | 0.906977 |
3 | VDX | 0.614583 | 0.866667 |
4 | BIV | 0.604167 | 0.866667 |
5 | FMV | 0.59 | 0.955556 |
6 | MC9 | 0.583333 | 0.863636 |
7 | KH1 | 0.572816 | 0.77551 |
8 | JC1 | 0.57 | 0.77551 |
9 | EB1 | 0.563107 | 0.844444 |
10 | TEJ | 0.558824 | 0.891304 |
11 | 6VH | 0.53271 | 0.764706 |
12 | 8J3 | 0.527778 | 0.826087 |
13 | 8J0 | 0.527778 | 0.826087 |
14 | ICJ | 0.523364 | 0.847826 |
15 | M7E | 0.504505 | 0.65 |
16 | 0CO | 0.495238 | 0.893617 |
17 | COV | 0.495238 | 0.893617 |
18 | ZNE | 0.491228 | 0.727273 |
19 | VDP | 0.434109 | 0.640625 |
20 | MVD | 0.427273 | 0.866667 |
21 | ZYD | 0.415094 | 0.866667 |
22 | VDY | 0.415094 | 0.8 |
23 | C33 | 0.408696 | 0.847826 |
24 | YS3 | 0.4 | 0.886364 |
This union binding pocket(no: 1) in the query (biounit: 5e7v.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5e7v.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |