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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 16 families. | |||||
1 | 3EHW | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
2 | 5H4J | Ki = 0.13 uM | FKM | C21 H29 N3 O6 S | C[C@H](c1c.... |
3 | 2HQU | Kd = 7.2 uM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
4 | 3ARA | ic50 = 0.32 uM | MKH | C24 H27 N3 O5 S | c1ccc(cc1).... |
5 | 3ARN | ic50 = 3.9 uM | MSJ | C17 H23 N3 O5 S | CC(C)(CCCO.... |
6 | 1Q5H | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
7 | 6LJJ | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
8 | 2OKE | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
9 | 2OL1 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 5NYZ | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
2 | 5CCO | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
3 | 5CCT | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
4 | 4GV8 | Kd = 0.32 uM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
5 | 3EHW | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
6 | 5H4J | Ki = 0.13 uM | FKM | C21 H29 N3 O6 S | C[C@H](c1c.... |
7 | 2HQU | Kd = 7.2 uM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
8 | 3ARA | ic50 = 0.32 uM | MKH | C24 H27 N3 O5 S | c1ccc(cc1).... |
9 | 3ARN | ic50 = 3.9 uM | MSJ | C17 H23 N3 O5 S | CC(C)(CCCO.... |
10 | 3P48 | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
11 | 1Q5H | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
12 | 4OOP | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
13 | 1F7N | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
14 | 1F7Q | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
15 | 1F7P | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
16 | 3F4F | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
17 | 1DUC | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
18 | 1RN8 | Kd = 1 uM | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
19 | 1RNJ | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
20 | 2HR6 | Kd = 12 uM | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
21 | 2HRM | Kd = 278.5 uM | UC5 | C10 H16 N2 O10 P2 | C1[C@@H]([.... |
22 | 6LJJ | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
23 | 2OL0 | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
24 | 2OKE | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
25 | 2OL1 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
26 | 3LOJ | - | DUP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
27 | 1SMC | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DUP | 1 | 1 |
2 | DUN | 0.816901 | 1 |
3 | DU | 0.742857 | 0.956522 |
4 | UMP | 0.742857 | 0.956522 |
5 | DUD | 0.739726 | 0.971014 |
6 | DUT | 0.701299 | 0.971014 |
7 | UC5 | 0.671053 | 0.957143 |
8 | DUT MG | 0.62963 | 0.914286 |
9 | 0KX | 0.614458 | 0.931507 |
10 | DUS | 0.6 | 0.820513 |
11 | UMP AF3 PO4 | 0.595238 | 0.842105 |
12 | DUR | 0.585714 | 0.842857 |
13 | 2KH | 0.585366 | 0.915493 |
14 | UM3 | 0.506329 | 0.914286 |
15 | DU DU DU DU BRU DU DU | 0.495238 | 0.831169 |
16 | DDN | 0.47561 | 0.956522 |
17 | DU4 | 0.472527 | 0.730769 |
18 | BRU | 0.458824 | 0.891892 |
19 | DDU | 0.453333 | 0.722222 |
20 | DU3 | 0.450549 | 0.773333 |
21 | DUA | 0.450549 | 0.776316 |
22 | TYD | 0.449438 | 0.930556 |
23 | UFP | 0.447059 | 0.891892 |
24 | TMP | 0.44186 | 0.916667 |
25 | 5HU | 0.44186 | 0.930556 |
26 | 5IU | 0.436782 | 0.891892 |
27 | UNP | 0.434783 | 0.915493 |
28 | YYY | 0.433333 | 0.90411 |
29 | UDP | 0.431818 | 0.887324 |
30 | TTP | 0.430108 | 0.930556 |
31 | DCM | 0.425287 | 0.890411 |
32 | DC | 0.425287 | 0.890411 |
33 | UTP | 0.417582 | 0.887324 |
34 | DCP | 0.414894 | 0.90411 |
35 | U5F | 0.413043 | 0.887324 |
36 | U | 0.411765 | 0.873239 |
37 | U5P | 0.411765 | 0.873239 |
38 | BVP | 0.408602 | 0.90411 |
39 | DZ4 | 0.40404 | 0.820513 |
This union binding pocket(no: 1) in the query (biounit: 5h4j.bio1) has 59 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5h4j.bio1) has 59 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5h4j.bio1) has 59 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |