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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 16 families. | |||||
1 | 1SEH | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
2 | 1DUD | Ki = 15 uM | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
3 | 1SYL | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
4 | 6HDE | Kd = 60.8 nM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
5 | 1RN8 | Kd = 1 uM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
6 | 1RNJ | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
7 | 2HR6 | Kd = 12 uM | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
8 | 2HRM | Kd = 278.5 uM | UC5 | C10 H16 N2 O10 P2 | C1[C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 10 families. | |||||
1 | 1SJN | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
2 | 1SEH | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
3 | 1DUD | Ki = 15 uM | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
4 | 1SYL | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
5 | 6HDE | Kd = 60.8 nM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
6 | 5EDD | Kd = 5.7 uM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
7 | 1SIX | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
8 | 5ECT | Kd = 5.2 uM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
9 | 2PY4 | Kd = 0.2 uM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
10 | 1SNF | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DUD | 1 | 1 |
2 | DUT | 0.880597 | 1 |
3 | UMP | 0.8 | 0.985075 |
4 | DU | 0.8 | 0.985075 |
5 | DUP | 0.739726 | 0.971014 |
6 | UC5 | 0.71831 | 0.985294 |
7 | DUN | 0.69863 | 0.971014 |
8 | DUT MG | 0.693333 | 0.941176 |
9 | UMP AF3 PO4 | 0.653846 | 0.864865 |
10 | DUS | 0.642857 | 0.842105 |
11 | DUR | 0.630769 | 0.867647 |
12 | TYD | 0.61039 | 0.957143 |
13 | YYY | 0.589744 | 0.929577 |
14 | UDP | 0.571429 | 0.913043 |
15 | TTP | 0.542169 | 0.957143 |
16 | UM3 | 0.540541 | 0.941176 |
17 | DCP | 0.52381 | 0.929577 |
18 | DU DU DU DU BRU DU DU | 0.52 | 0.853333 |
19 | UTP | 0.512195 | 0.913043 |
20 | DDN | 0.506494 | 0.985075 |
21 | U5F | 0.506024 | 0.913043 |
22 | UFP | 0.493671 | 0.916667 |
23 | DDU | 0.485714 | 0.742857 |
24 | F6G | 0.482759 | 0.890411 |
25 | 8GD | 0.477778 | 0.8375 |
26 | TMP | 0.469136 | 0.942857 |
27 | 5HU | 0.469136 | 0.957143 |
28 | BRU | 0.469136 | 0.916667 |
29 | 8DD | 0.467391 | 0.844156 |
30 | DU4 | 0.465909 | 0.75 |
31 | 5IU | 0.463415 | 0.916667 |
32 | DU3 | 0.45977 | 0.794521 |
33 | UNP | 0.45977 | 0.887324 |
34 | DUA | 0.45977 | 0.797297 |
35 | 6U4 | 0.457447 | 0.857143 |
36 | DCM | 0.451219 | 0.915493 |
37 | DC | 0.451219 | 0.915493 |
38 | DAU | 0.44898 | 0.891892 |
39 | TLO | 0.442105 | 0.90411 |
40 | 18T | 0.438776 | 0.891892 |
41 | TRH | 0.438776 | 0.891892 |
42 | 1JB | 0.438776 | 0.891892 |
43 | U5P | 0.4375 | 0.898551 |
44 | U | 0.4375 | 0.898551 |
45 | UDX | 0.4375 | 0.887324 |
46 | UAD | 0.4375 | 0.887324 |
47 | 0FX | 0.435644 | 0.868421 |
48 | 0KX | 0.433333 | 0.90411 |
49 | BVP | 0.431818 | 0.929577 |
50 | T3Q | 0.43 | 0.868421 |
51 | T3F | 0.43 | 0.868421 |
52 | 139 | 0.428571 | 0.8125 |
53 | ATY | 0.428571 | 0.90411 |
54 | 8DG | 0.427083 | 0.8375 |
55 | T46 | 0.425743 | 0.891892 |
56 | UDH | 0.425532 | 0.891892 |
57 | 3R2 | 0.424242 | 0.88 |
58 | TDX | 0.424242 | 0.90411 |
59 | 9RC | 0.42268 | 0.792683 |
60 | MMF | 0.421569 | 0.868421 |
61 | UPG | 0.421053 | 0.861111 |
62 | GDU | 0.421053 | 0.861111 |
63 | 660 | 0.421053 | 0.901408 |
64 | UFM | 0.421053 | 0.861111 |
65 | URM | 0.421053 | 0.901408 |
66 | 2KH | 0.420455 | 0.887324 |
67 | AZD | 0.419355 | 0.868421 |
68 | UPU | 0.417582 | 0.859155 |
69 | TTP MG | 0.417582 | 0.901408 |
70 | DWN | 0.415842 | 0.868421 |
71 | 3YN | 0.415842 | 0.891892 |
72 | DGI | 0.414894 | 0.7875 |
73 | UMC | 0.414634 | 0.927536 |
74 | QDM | 0.413462 | 0.857143 |
75 | 0N2 | 0.411765 | 0.857143 |
76 | UPP | 0.410526 | 0.861111 |
77 | FNF | 0.409524 | 0.88 |
78 | AKM | 0.409524 | 0.848101 |
79 | 1YF | 0.409524 | 0.88 |
80 | PUP | 0.408163 | 0.942029 |
81 | UPF | 0.408163 | 0.815789 |
82 | U2F | 0.408163 | 0.815789 |
83 | UFG | 0.408163 | 0.815789 |
84 | UA3 | 0.407407 | 0.884058 |
85 | U2P | 0.407407 | 0.898551 |
86 | U3P | 0.407407 | 0.884058 |
87 | UDP UDP | 0.406977 | 0.857143 |
88 | 3UC | 0.405941 | 0.815789 |
89 | 4TG | 0.40566 | 0.88 |
90 | 44P | 0.404762 | 0.928571 |
91 | DUX | 0.404494 | 0.746667 |
92 | DCP MG | 0.402174 | 0.875 |
93 | AWU | 0.402062 | 0.861111 |
94 | PUA | 0.4 | 0.846154 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CDP | 0.9790 |
2 | TBD | 0.9720 |
3 | CDP MG | 0.9540 |
4 | D4D | 0.9430 |
5 | ADP | 0.9233 |
6 | DAT | 0.9204 |
7 | ADX | 0.9092 |
8 | GCQ | 0.9091 |
9 | GDP | 0.8888 |
10 | IDP | 0.8882 |
11 | 7D3 | 0.8807 |
12 | 7XL | 0.8739 |
13 | C5P | 0.8692 |
14 | FZK | 0.8683 |
15 | D4T | 0.8669 |
16 | 9KE | 0.8635 |
17 | CAR | 0.8609 |
18 | FZQ | 0.8603 |
19 | A12 | 0.8600 |
20 | UP6 | 0.8597 |
21 | NYM | 0.8571 |
22 | 9KB | 0.8543 |
This union binding pocket(no: 3) in the query (biounit: 6hde.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6KZ6 | UMP | 32.2581 |
2 | 6KZ6 | UMP | 32.2581 |