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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 2 families. | |||||
1 | 2DKD | - | NG1 | C8 H16 N O9 P | CC(=O)N[C@.... |
2 | 2DKC | - | 16G | C8 H16 N O9 P | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2DKD | - | NG1 | C8 H16 N O9 P | CC(=O)N[C@.... |
2 | 2DKC | - | 16G | C8 H16 N O9 P | CC(=O)N[C@.... |
3 | 5O9X | - | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
4 | 5OAW | - | 16G | C8 H16 N O9 P | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 4QY | 1 | 1 |
2 | BMX | 1 | 1 |
3 | 16G | 1 | 1 |
4 | NGS | 0.611111 | 0.803279 |
5 | NG6 | 0.611111 | 0.803279 |
6 | NNG | 0.603774 | 0.890909 |
7 | NDG | 0.591837 | 0.735849 |
8 | BM3 | 0.591837 | 0.735849 |
9 | NAG | 0.591837 | 0.735849 |
10 | A2G | 0.591837 | 0.735849 |
11 | NGA | 0.591837 | 0.735849 |
12 | HSQ | 0.591837 | 0.735849 |
13 | HSX | 0.553191 | 0.685185 |
14 | ABF | 0.553191 | 0.685185 |
15 | RP5 | 0.553191 | 0.685185 |
16 | BG6 | 0.55102 | 0.75 |
17 | M6D | 0.55102 | 0.75 |
18 | A6P | 0.55102 | 0.75 |
19 | G6P | 0.55102 | 0.75 |
20 | M6P | 0.55102 | 0.75 |
21 | BGP | 0.55102 | 0.75 |
22 | BMX BMX BMX BM3 | 0.550725 | 0.847458 |
23 | GLP | 0.509434 | 0.867925 |
24 | 4R1 | 0.509434 | 0.867925 |
25 | AHG | 0.489362 | 0.642857 |
26 | RF5 | 0.461538 | 0.62069 |
27 | 50A | 0.461538 | 0.62069 |
28 | FDQ | 0.444444 | 0.631579 |
29 | GRF | 0.442308 | 0.836364 |
30 | FGR | 0.4375 | 0.786885 |
31 | RI2 | 0.436364 | 0.685185 |
32 | GN1 | 0.42623 | 0.981132 |
33 | NG1 | 0.42623 | 0.981132 |
34 | ASG | 0.419355 | 0.774194 |
35 | NAG G6S | 0.418919 | 0.727273 |
36 | G16 | 0.413793 | 0.754717 |
37 | GDL NAG | 0.411765 | 0.724138 |
38 | A2G NAG | 0.411765 | 0.724138 |
39 | D6G | 0.410714 | 0.722222 |
40 | NAG GAL | 0.409091 | 0.732143 |
41 | GAL NAG | 0.405797 | 0.732143 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SGN | 0.9633 |
2 | EZL | 0.9077 |
3 | Z25 | 0.9000 |
4 | EAA | 0.8990 |
5 | PMM | 0.8930 |
6 | AQN | 0.8854 |
7 | 6PG | 0.8814 |
8 | BGN | 0.8812 |
9 | BIH | 0.8796 |
10 | 1BW | 0.8790 |
11 | GAR | 0.8782 |
12 | F6R | 0.8779 |
13 | CG | 0.8775 |
14 | 3LJ | 0.8774 |
15 | AL3 | 0.8768 |
16 | KOH | 0.8748 |
17 | 109 | 0.8733 |
18 | FBP | 0.8729 |
19 | 7EL | 0.8726 |
20 | 1CE | 0.8717 |
21 | QIF | 0.8698 |
22 | 3TV | 0.8689 |
23 | W1G | 0.8684 |
24 | 789 | 0.8668 |
25 | PMP | 0.8661 |
26 | 1V3 | 0.8656 |
27 | 1V4 | 0.8650 |
28 | PTR | 0.8649 |
29 | LC1 | 0.8647 |
30 | D8X | 0.8646 |
31 | VPU | 0.8644 |
32 | 3G3 | 0.8643 |
33 | 0J5 | 0.8640 |
34 | NIF | 0.8638 |
35 | NPS | 0.8628 |
36 | GEN | 0.8625 |
37 | PV4 | 0.8622 |
38 | K7H | 0.8616 |
39 | S0J | 0.8606 |
40 | PLP | 0.8601 |
41 | PLR | 0.8597 |
42 | RYJ | 0.8589 |
43 | ASD | 0.8588 |
44 | SDN | 0.8579 |
45 | NPX | 0.8579 |
46 | 20N | 0.8579 |
47 | TES | 0.8574 |
48 | Q0K | 0.8569 |
49 | NXL | 0.8568 |
50 | 47X | 0.8553 |
51 | CX4 | 0.8552 |
52 | F6P | 0.8543 |
53 | AND | 0.8540 |
54 | V13 | 0.8540 |
55 | FLP | 0.8537 |
56 | OA4 | 0.8535 |
This union binding pocket(no: 1) in the query (biounit: 2dkd.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2dkd.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |