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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 67 families. | |||||
1 | 4WO4 | - | JLS | C48 H93 N O9 | CCCCCCCCCC.... |
2 | 3RUG | Kd = 4.4 uM | DB6 | C44 H83 N O9 | CCCCCCCCCC.... |
3 | 3HUJ | - | AGH | C50 H99 N O9 | CCCCCCCCCC.... |
4 | 3QI9 | - | PII | C42 H81 O13 P | CCCCCCCCCC.... |
5 | 3SCM | - | LGN | C62 H117 N O18 | CCCCCCCCCC.... |
6 | 6CXE | - | EM4 | C52 H94 N2 O10 | CCCCCCCCCC.... |
7 | 6CXF | - | ELS | C51 H92 N2 O10 | CCCCCCCCCC.... |
8 | 6CX9 | - | EM4 | C52 H94 N2 O10 | CCCCCCCCCC.... |
9 | 6MJI | - | JTD | C54 H105 N O9 | CCCCCCCCCC.... |
10 | 6CW9 | - | 7LM | C36 H63 N O9 | CCCCCCCC(=.... |
11 | 6MJ4 | - | JTG | C53 H103 N O9 | CCCCCCCCCC.... |
12 | 6MIV | - | JU1 | C61 H113 N O9 | CCCCCCCCCC.... |
13 | 3QUZ | Kd = 39.6 nM | QUV | C61 H107 N3 O9 | CCCCCCCCCC.... |
14 | 6MJA | - | JTJ | C58 H107 N O9 | CCCCCCCCCC.... |
15 | 6MJ6 | - | JTM | C57 H104 Cl N O9 | CCCCCCCCCC.... |
16 | 6CX5 | - | FJM | C36 H62 N2 O10 | CCCCCCCC(=.... |
17 | 3QUY | Kd = 187 nM | QUY | C57 H104 N2 O9 | CCCCCCCCCC.... |
18 | 6MJJ | - | JU4 | C57 H103 Cl2 N O9 | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 45 families. | |||||
1 | 4WO4 | - | JLS | C48 H93 N O9 | CCCCCCCCCC.... |
2 | 6CUG | - | CUY | C42 H84 O2 | CCCCCCCCCC.... |
3 | 3RUG | Kd = 4.4 uM | DB6 | C44 H83 N O9 | CCCCCCCCCC.... |
4 | 3HUJ | - | AGH | C50 H99 N O9 | CCCCCCCCCC.... |
5 | 3QI9 | - | PII | C42 H81 O13 P | CCCCCCCCCC.... |
6 | 3SCM | - | LGN | C62 H117 N O18 | CCCCCCCCCC.... |
7 | 6CXE | - | EM4 | C52 H94 N2 O10 | CCCCCCCCCC.... |
8 | 6CXF | - | ELS | C51 H92 N2 O10 | CCCCCCCCCC.... |
9 | 6CX9 | - | EM4 | C52 H94 N2 O10 | CCCCCCCCCC.... |
10 | 6MJI | - | JTD | C54 H105 N O9 | CCCCCCCCCC.... |
11 | 6CW9 | - | 7LM | C36 H63 N O9 | CCCCCCCC(=.... |
12 | 6MJ4 | - | JTG | C53 H103 N O9 | CCCCCCCCCC.... |
13 | 6MIV | - | JU1 | C61 H113 N O9 | CCCCCCCCCC.... |
14 | 3QUZ | Kd = 39.6 nM | QUV | C61 H107 N3 O9 | CCCCCCCCCC.... |
15 | 6MJA | - | JTJ | C58 H107 N O9 | CCCCCCCCCC.... |
16 | 6MJ6 | - | JTM | C57 H104 Cl N O9 | CCCCCCCCCC.... |
17 | 6CX5 | - | FJM | C36 H62 N2 O10 | CCCCCCCC(=.... |
18 | 3QUY | Kd = 187 nM | QUY | C57 H104 N2 O9 | CCCCCCCCCC.... |
19 | 6MJJ | - | JU4 | C57 H103 Cl2 N O9 | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AGH | 1 | 1 |
2 | 0SH | 1 | 1 |
3 | F61 | 1 | 1 |
4 | PBS | 1 | 1 |
5 | FEE | 0.945205 | 1 |
6 | JLS | 0.8875 | 0.981481 |
7 | GM3 | 0.818182 | 0.981132 |
8 | DB6 | 0.816092 | 0.981481 |
9 | C8F | 0.788889 | 0.866667 |
10 | C8P | 0.788889 | 0.928571 |
11 | 7LM | 0.788889 | 0.928571 |
12 | C1Q | 0.788889 | 0.928571 |
13 | C6Q | 0.777778 | 0.928571 |
14 | JTG | 0.727273 | 0.963636 |
15 | JTD | 0.719101 | 0.981481 |
16 | ELS | 0.683673 | 0.883333 |
17 | JTJ | 0.666667 | 0.946429 |
18 | JTM | 0.659794 | 0.883333 |
19 | JU1 | 0.653061 | 0.898305 |
20 | EM4 | 0.650485 | 0.881356 |
21 | FJM | 0.650485 | 0.881356 |
22 | 7LP | 0.640777 | 0.881356 |
23 | JU4 | 0.64 | 0.868852 |
24 | 03F | 0.633333 | 0.945455 |
25 | QUV | 0.616822 | 0.791045 |
26 | QUY | 0.6 | 0.883333 |
27 | GSL | 0.579545 | 0.892857 |
28 | BGC 18C GAL | 0.544554 | 0.912281 |
29 | GAL SPH NER | 0.510204 | 0.892857 |
30 | LGN | 0.504587 | 0.912281 |
31 | IGC | 0.504587 | 0.912281 |
32 | EIS | 0.49505 | 0.712329 |
33 | SLF | 0.49505 | 0.712329 |
34 | CIS | 0.480769 | 0.712329 |
35 | LAT SPH DAO | 0.470588 | 0.877193 |
36 | LAT SPH OLA | 0.470588 | 0.877193 |
37 | BOG | 0.461538 | 0.754717 |
38 | BNG | 0.461538 | 0.754717 |
39 | HSJ | 0.461538 | 0.754717 |
40 | DGD | 0.455446 | 0.75 |
41 | B7G | 0.448718 | 0.754717 |
42 | KGM | 0.448718 | 0.754717 |
43 | 1O2 | 0.445545 | 0.763636 |
44 | 3TF | 0.441176 | 0.763636 |
45 | GLC HEX | 0.435897 | 0.735849 |
46 | JZR | 0.435897 | 0.735849 |
47 | BHG | 0.435897 | 0.735849 |
48 | GAL SPH EIC | 0.435185 | 0.877193 |
49 | 0SG | 0.422018 | 0.69863 |
50 | XNS | 0.413793 | 0.722222 |
51 | DR4 | 0.413793 | 0.722222 |
52 | T6D | 0.413043 | 0.745455 |
53 | 1L2 | 0.412844 | 0.763636 |
54 | LAT SPH OCA | 0.405405 | 0.847458 |
55 | SFT | 0.405405 | 0.712329 |
56 | AFO | 0.405063 | 0.690909 |
57 | SER MAN | 0.402439 | 0.678571 |
58 | CQX | 0.402299 | 0.740741 |