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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 | M7E | 1 | 1 |
2 | VDX | 0.693878 | 0.672414 |
3 | ZNE | 0.60177 | 0.61194 |
4 | TEJ | 0.574074 | 0.666667 |
5 | JC1 | 0.555556 | 0.639344 |
6 | BIV | 0.542056 | 0.672414 |
7 | 8J0 | 0.530435 | 0.672414 |
8 | 8J3 | 0.530435 | 0.672414 |
9 | ICJ | 0.526316 | 0.661017 |
10 | 7ZU | 0.523364 | 0.637931 |
11 | MC9 | 0.523364 | 0.666667 |
12 | EB1 | 0.522124 | 0.655172 |
13 | 91W | 0.504505 | 0.65 |
14 | KH1 | 0.504348 | 0.639344 |
15 | MVD | 0.5 | 0.672414 |
16 | FMV | 0.491228 | 0.655738 |
17 | VDY | 0.490741 | 0.649123 |
18 | 6VH | 0.483051 | 0.634921 |
19 | YS2 | 0.481132 | 0.65 |
20 | C33 | 0.478632 | 0.661017 |
21 | VDZ | 0.477064 | 0.672414 |
22 | YSV | 0.477064 | 0.672414 |
23 | O1C | 0.474576 | 0.639344 |
24 | C3O | 0.458333 | 0.619048 |
25 | OCC | 0.45082 | 0.609375 |
26 | VD2 | 0.45045 | 0.655172 |
27 | YS3 | 0.436364 | 0.655172 |
28 | COV | 0.435897 | 0.645161 |
29 | 0CO | 0.435897 | 0.645161 |
30 | 8BO | 0.434426 | 0.639344 |
31 | 9RO | 0.434426 | 0.639344 |
32 | YSD | 0.424779 | 0.655172 |
33 | VD1 | 0.424528 | 0.666667 |
34 | AKX | 0.419355 | 0.661017 |
35 | 8BL | 0.414634 | 0.65 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NYA | 0.8770 |
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 |