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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 3 families. | |||||
1 | 2E9D | - | B76 | C20 H20 O8 P2 | c1ccc(cc1).... |
2 | 1X09 | Kd = 520 uM | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
3 | 3TH8 | - | TH9 | C19 H27 N O5 | CCCCCCOc1c.... |
4 | 5CQJ | ic50 = 15.4 uM | 53Q | C26 H28 Cl N O | CCN(CC)CCO.... |
5 | 5ZHE | - | HJX | C21 H34 O4 | CCCCCCCCCC.... |
6 | 1V7U | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
7 | 2E9C | - | B75 | C24 H23 N O9 P2 S | c1ccc2cc(c.... |
8 | 2E9A | - | B28 | C20 H20 O7 P2 | c1ccc(cc1).... |
9 | 1X06 | - | FPS | C15 H28 O6 P2 S | CC(=CCC/C(.... |
10 | 1X07 | Kd = 520 uM | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
11 | 2E98 | - | B29 | C20 H18 O8 P2 | c1ccc2c(c1.... |
12 | 3WYJ | ic50 = 0.36 uM | H78 | C34 H36 N2 O18 P4 S2 | c1cc(cc(c1.... |
13 | 1X08 | Kd = 520 uM | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
14 | 2E99 | - | B08 | C20 H20 O7 P2 | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2E9D | - | B76 | C20 H20 O8 P2 | c1ccc(cc1).... |
2 | 1X09 | Kd = 520 uM | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
3 | 3TH8 | - | TH9 | C19 H27 N O5 | CCCCCCOc1c.... |
4 | 5CQJ | ic50 = 15.4 uM | 53Q | C26 H28 Cl N O | CCN(CC)CCO.... |
5 | 5ZHE | - | HJX | C21 H34 O4 | CCCCCCCCCC.... |
6 | 1V7U | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
7 | 2E9C | - | B75 | C24 H23 N O9 P2 S | c1ccc2cc(c.... |
8 | 2E9A | - | B28 | C20 H20 O7 P2 | c1ccc(cc1).... |
9 | 1X06 | - | FPS | C15 H28 O6 P2 S | CC(=CCC/C(.... |
10 | 1X07 | Kd = 520 uM | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
11 | 2E98 | - | B29 | C20 H18 O8 P2 | c1ccc2c(c1.... |
12 | 3WYJ | ic50 = 0.36 uM | H78 | C34 H36 N2 O18 P4 S2 | c1cc(cc(c1.... |
13 | 1X08 | Kd = 520 uM | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
14 | 2E99 | - | B08 | C20 H20 O7 P2 | c1ccc(cc1).... |
15 | 2VG2 | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
16 | 4ONC | Kd = 410 nM | 40B | C19 H18 O7 P2 | c1ccc(cc1).... |
17 | 6IME | - | GST | C10 H20 O6 P2 S | CC(=CCCC(=.... |
18 | 2VG3 | - | GPP | C10 H20 O7 P2 | CC(=CCC/C(.... |
19 | 5HC8 | - | PIS | H3 O6 P2 S | OP(=O)(O)O.... |
20 | 5HC7 | - | DST | C5 H12 O6 P2 S | CC(=CCS[P@.... |
21 | 4Q9O | Kd = 1.7 uM | 2ZW | C20 H19 Cl N2 O2 | Cc1c(c(no1.... |
22 | 4Q9M | Kd = 66 nM | 2ZW | C20 H19 Cl N2 O2 | Cc1c(c(no1.... |
23 | 4U82 | ic50 = 1.9 uM | FPS | C15 H28 O6 P2 S | CC(=CCC/C(.... |
24 | 2VG1 | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
25 | 2VG0 | - | GPP | C10 H20 O7 P2 | CC(=CCC/C(.... |
26 | 6SZG | - | M2K | C8 H10 N2 O2 | C1CCc2c(c(.... |
27 | 6ACS | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
28 | 6SZH | - | M2H | C7 H8 N2 | Cc1cc([nH].... |
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: 3wyj.bio1) has 64 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |