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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 1 families. | |||||
1 | 4EA0 | - | 651 | C19 H21 N O | c1ccc(cc1).... |
2 | 2ZCR | Ki = 135 nM | B69 | C20 H24 K3 O6 P S | CCCCc1ccc(.... |
3 | 2ZCQ | Ki = 1.5 nM | B65 | C16 H19 O7 P S | c1ccc(cc1).... |
4 | 4F6X | ic50 = 45.3 uM | ZYL | C19 H23 N O5 | CCCCCCOc1c.... |
5 | 3TFP | - | 03L | C21 H14 Cl3 N O3 S | c1ccc(c(c1.... |
6 | 2ZCS | Ki = 6 nM | B70 | C16 H16 K3 O6 P S | c1ccc(cc1).... |
7 | 2ZY1 | Ki = 0.04 uM | 830 | C17 H18 K2 N O5 P | c1ccc(cc1).... |
8 | 3W7F | - | FPS | C15 H28 O6 P2 S | CC(=CCC/C(.... |
9 | 3AE0 | - | GGS | C20 H36 O6 P2 S | CC(=CCC/C(.... |
10 | 3ACX | - | 673 | C21 H27 N O | CC(C)NCCCO.... |
11 | 3TFN | Ki = 0.27 uM | 2CJ | C26 H32 N2 O3 | c1ccc(cc1).... |
12 | 4E9U | Ki = 1.5 uM | RWY | C15 H13 N O2 S | c1ccc(cc1).... |
13 | 4F6V | ic50 = 24 uM | ZYM | C19 H19 N O5 | c1ccc(cc1).... |
14 | 3NPR | - | PS7 | C30 H52 O7 P2 | CC(=CCC/C(.... |
15 | 3ADZ | - | PS7 | C30 H52 O7 P2 | CC(=CCC/C(.... |
16 | 3LGZ | - | PS7 | C30 H52 O7 P2 | CC(=CCC/C(.... |
17 | 3ACY | - | 702 | C23 H25 O7 P S | c1ccc(cc1).... |
18 | 4EA1 | Ki = 0.36 uM | 3RX | C22 H38 N2 | CC(=CCC/C(.... |
19 | 4EA2 | Ki = 0.36 uM | RWZ | C22 H38 N2 | CC(=CCC/C(.... |
20 | 4E9Z | - | 651 | C19 H21 N O | c1ccc(cc1).... |
21 | 3ACW | - | 651 | C19 H21 N O | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4EA0 | - | 651 | C19 H21 N O | c1ccc(cc1).... |
2 | 2ZCR | Ki = 135 nM | B69 | C20 H24 K3 O6 P S | CCCCc1ccc(.... |
3 | 2ZCQ | Ki = 1.5 nM | B65 | C16 H19 O7 P S | c1ccc(cc1).... |
4 | 4F6X | ic50 = 45.3 uM | ZYL | C19 H23 N O5 | CCCCCCOc1c.... |
5 | 3TFP | - | 03L | C21 H14 Cl3 N O3 S | c1ccc(c(c1.... |
6 | 2ZCS | Ki = 6 nM | B70 | C16 H16 K3 O6 P S | c1ccc(cc1).... |
7 | 2ZY1 | Ki = 0.04 uM | 830 | C17 H18 K2 N O5 P | c1ccc(cc1).... |
8 | 3W7F | - | FPS | C15 H28 O6 P2 S | CC(=CCC/C(.... |
9 | 3AE0 | - | GGS | C20 H36 O6 P2 S | CC(=CCC/C(.... |
10 | 3ACX | - | 673 | C21 H27 N O | CC(C)NCCCO.... |
11 | 3TFN | Ki = 0.27 uM | 2CJ | C26 H32 N2 O3 | c1ccc(cc1).... |
12 | 4E9U | Ki = 1.5 uM | RWY | C15 H13 N O2 S | c1ccc(cc1).... |
13 | 4F6V | ic50 = 24 uM | ZYM | C19 H19 N O5 | c1ccc(cc1).... |
14 | 3NPR | - | PS7 | C30 H52 O7 P2 | CC(=CCC/C(.... |
15 | 3ADZ | - | PS7 | C30 H52 O7 P2 | CC(=CCC/C(.... |
16 | 3LGZ | - | PS7 | C30 H52 O7 P2 | CC(=CCC/C(.... |
17 | 3ACY | - | 702 | C23 H25 O7 P S | c1ccc(cc1).... |
18 | 4EA1 | Ki = 0.36 uM | 3RX | C22 H38 N2 | CC(=CCC/C(.... |
19 | 4EA2 | Ki = 0.36 uM | RWZ | C22 H38 N2 | CC(=CCC/C(.... |
20 | 4E9Z | - | 651 | C19 H21 N O | c1ccc(cc1).... |
21 | 3ACW | - | 651 | C19 H21 N O | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 651 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 2OX | 0.9044 |
2 | 3K1 | 0.8955 |
3 | SYD | 0.8914 |
4 | PIC | 0.8885 |
5 | PZJ | 0.8882 |
6 | PB2 | 0.8879 |
7 | BP5 | 0.8853 |
8 | 5OD | 0.8845 |
9 | TKT | 0.8807 |
10 | 1OT | 0.8779 |
11 | ARZ | 0.8737 |
12 | BON | 0.8702 |
13 | ZUF | 0.8682 |
14 | S45 | 0.8673 |
15 | CT0 | 0.8669 |
16 | VGV | 0.8668 |
17 | SQG | 0.8665 |
18 | 1V6 | 0.8654 |
19 | 6NF | 0.8640 |
20 | BSU | 0.8640 |
21 | MI2 | 0.8640 |
22 | CWB | 0.8627 |
23 | ESJ | 0.8609 |
24 | PTR | 0.8608 |
25 | BC5 | 0.8601 |
26 | RYX | 0.8600 |
27 | 246 | 0.8583 |
28 | Q3Q | 0.8571 |
29 | 1CE | 0.8571 |
30 | RYJ | 0.8548 |
31 | C5F | 0.8537 |
32 | R18 | 0.8535 |
33 | TEF | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 2zcq.bio1) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |