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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 1 families. | |||||
1 | 2E8X | - | GPP | C10 H20 O7 P2 | CC(=CCC/C(.... |
2 | 2ZEV | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
3 | 2Z4V | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
4 | 2E8W | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
5 | 2Z7H | Ki = 115 nM | GG3 | C14 H25 N O7 P2 | C[N@](CCCC.... |
6 | 2Z4Y | ic50 = 0.71 uM | 252 | C9 H22 O7 P2 | CCCCCCCCC(.... |
7 | 2Z4W | ic50 = 0.98 uM | 749 | C21 H38 O6 P2 | CC(=CCC/C(.... |
8 | 2E93 | - | B29 | C20 H18 O8 P2 | c1ccc2c(c1.... |
9 | 2E8U | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
10 | 2Z4X | ic50 = 0.71 uM | 252 | C9 H22 O7 P2 | CCCCCCCCC(.... |
11 | 2Z50 | ic50 = 11.22 uM | 028 | C7 H18 O7 P2 | CCCCCCC(O).... |
12 | 2Z7I | ic50 = 0.1 uM | 742 | C16 H38 O6 P3 | CCCCCCCCCC.... |
13 | 2E94 | - | 364 | C19 H20 N O7 P2 | c1ccc(cc1).... |
14 | 2E91 | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
15 | 2ZEU | - | B71 | C17 H32 N O7 P2 | CCCCCCCCCC.... |
16 | 2Z4Z | ic50 = 1.86 uM | SC0 | C17 H34 O6 P2 | CCCCCC=CCC.... |
17 | 2E92 | - | M0N | C9 H12 N2 O7 P2 | c1ccn2c(c1.... |
18 | 2E8V | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
19 | 2Z52 | ic50 = 2.69 uM | H23 | C12 H28 O7 P2 | CCCCCCCCCC.... |
20 | 2E8T | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
21 | 2Z78 | - | H86 | C23 H34 F2 N O7 P2 | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2E8X | - | GPP | C10 H20 O7 P2 | CC(=CCC/C(.... |
2 | 2ZEV | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
3 | 2Z4V | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
4 | 2E8W | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
5 | 2Z7H | Ki = 115 nM | GG3 | C14 H25 N O7 P2 | C[N@](CCCC.... |
6 | 2Z4Y | ic50 = 0.71 uM | 252 | C9 H22 O7 P2 | CCCCCCCCC(.... |
7 | 2Z4W | ic50 = 0.98 uM | 749 | C21 H38 O6 P2 | CC(=CCC/C(.... |
8 | 2E93 | - | B29 | C20 H18 O8 P2 | c1ccc2c(c1.... |
9 | 2E8U | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
10 | 2Z4X | ic50 = 0.71 uM | 252 | C9 H22 O7 P2 | CCCCCCCCC(.... |
11 | 2Z50 | ic50 = 11.22 uM | 028 | C7 H18 O7 P2 | CCCCCCC(O).... |
12 | 2Z7I | ic50 = 0.1 uM | 742 | C16 H38 O6 P3 | CCCCCCCCCC.... |
13 | 2E94 | - | 364 | C19 H20 N O7 P2 | c1ccc(cc1).... |
14 | 2E91 | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
15 | 2ZEU | - | B71 | C17 H32 N O7 P2 | CCCCCCCCCC.... |
16 | 2Z4Z | ic50 = 1.86 uM | SC0 | C17 H34 O6 P2 | CCCCCC=CCC.... |
17 | 2E92 | - | M0N | C9 H12 N2 O7 P2 | c1ccn2c(c1.... |
18 | 2E8V | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
19 | 2Z52 | ic50 = 2.69 uM | H23 | C12 H28 O7 P2 | CCCCCCCCCC.... |
20 | 2E8T | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
21 | 2Z78 | - | H86 | C23 H34 F2 N O7 P2 | CCCCCCCCCC.... |
22 | 6R4V | Kd = 1.74 uM | BFQ | C9 H23 N O7 P2 | CCCCC[N@](.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | VTP | 1 | 0.975 |
2 | GRG | 1 | 1 |
3 | OTP | 1 | 0.975 |
4 | FPP | 1 | 1 |
5 | ZTP | 1 | 0.975 |
6 | GPP | 0.911111 | 0.974359 |
7 | DSL | 0.744681 | 0.9 |
8 | 0K3 | 0.744681 | 0.9 |
9 | FJP | 0.744681 | 0.923077 |
10 | FDF | 0.727273 | 0.904762 |
11 | FFF | 0.714286 | 0.928571 |
12 | HZZ | 0.680851 | 0.897436 |
13 | FGG | 0.590164 | 0.928571 |
14 | FPF | 0.57377 | 0.928571 |
15 | 2CF | 0.57377 | 0.928571 |
16 | ELU | 0.571429 | 0.951219 |
17 | ELR | 0.571429 | 0.951219 |
18 | 10E | 0.568627 | 0.702128 |
19 | 10D | 0.568627 | 0.785714 |
20 | MGM | 0.5625 | 0.764706 |
21 | DMA | 0.5625 | 0.846154 |
22 | A4S | 0.558824 | 0.698113 |
23 | 3E9 | 0.555556 | 0.951219 |
24 | FPS | 0.551724 | 0.880952 |
25 | GGS | 0.551724 | 0.880952 |
26 | H6P | 0.54902 | 0.785714 |
27 | FPQ | 0.539683 | 0.826087 |
28 | 10G | 0.538462 | 0.767442 |
29 | FII | 0.507937 | 0.666667 |
30 | GST | 0.482759 | 0.857143 |
31 | PS7 | 0.48 | 0.906977 |
32 | C0X | 0.477612 | 0.744681 |
33 | FHP | 0.473684 | 0.761905 |
34 | 1NH | 0.457831 | 0.770833 |
35 | 0FV | 0.442623 | 0.904762 |
36 | LA6 | 0.442623 | 0.904762 |
37 | SZH | 0.428571 | 0.655172 |
38 | 749 | 0.428571 | 0.897436 |
39 | 9GB | 0.415094 | 0.825 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 2z7i.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |