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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 277 families. | |||||
1 | 4KOX | Kd = 16.9 uM | CLS | C16 H16 N2 O6 S2 | CC(=O)OCC1.... |
2 | 4KLW | - | KLW | C8 H7 N O3 | c1ccc(c(c1.... |
3 | 4KOV | Kd = 176.7 uM | KOV | C16 H16 N4 O8 S | CO/N=C(/c1.... |
4 | 4L8A | Kd = 3.9 uM | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
5 | 4KLV | Kd = 165.3 uM | KLV | C10 H9 O6 P | CC1=CC(=O).... |
6 | 4KOY | - | CSC | C16 H22 N3 O8 S | CC(=O)OCC1.... |
7 | 4KOT | Kd = 3.5 uM | CE3 | C16 H17 N5 O7 S2 | CC(=O)OCC1.... |
8 | 5VD6 | - | 93P | C37 H56 N9 O20 P3 S | CC(C)(COP(.... |
9 | 4KOW | Kd = 49.3 uM | CFX | C16 H17 N3 O7 S2 | CO[C@@]1([.... |
10 | 4KOR | - | 4KR | C10 H12 N2 O5 S | CC(=O)OCC1.... |
11 | 4KOU | - | C04 | C16 H15 N5 O7 S2 | C=CC1=C(N2.... |
12 | 4KOS | - | 4KO | C15 H17 N7 O5 S3 | Cn1c(nnn1).... |
13 | 4KUB | Kd = 3.9 uM | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
14 | 5VDB | - | 93M | C39 H59 N10 O21 P3 S | CC(C)(COP(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 4KOX | Kd = 16.9 uM | CLS | C16 H16 N2 O6 S2 | CC(=O)OCC1.... |
2 | 4KLW | - | KLW | C8 H7 N O3 | c1ccc(c(c1.... |
3 | 4KOV | Kd = 176.7 uM | KOV | C16 H16 N4 O8 S | CO/N=C(/c1.... |
4 | 4L8A | Kd = 3.9 uM | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
5 | 4KLV | Kd = 165.3 uM | KLV | C10 H9 O6 P | CC1=CC(=O).... |
6 | 4KOY | - | CSC | C16 H22 N3 O8 S | CC(=O)OCC1.... |
7 | 4KOT | Kd = 3.5 uM | CE3 | C16 H17 N5 O7 S2 | CC(=O)OCC1.... |
8 | 5VD6 | - | 93P | C37 H56 N9 O20 P3 S | CC(C)(COP(.... |
9 | 4KOW | Kd = 49.3 uM | CFX | C16 H17 N3 O7 S2 | CO[C@@]1([.... |
10 | 4KOR | - | 4KR | C10 H12 N2 O5 S | CC(=O)OCC1.... |
11 | 4KOU | - | C04 | C16 H15 N5 O7 S2 | C=CC1=C(N2.... |
12 | 4KOS | - | 4KO | C15 H17 N7 O5 S3 | Cn1c(nnn1).... |
13 | 4KUB | Kd = 3.9 uM | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
14 | 5VDB | - | 93M | C39 H59 N10 O21 P3 S | CC(C)(COP(.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PMP | 0.9091 |
2 | 3JM | 0.9033 |
3 | PLP | 0.9022 |
4 | CHQ | 0.9006 |
5 | X04 | 0.8970 |
6 | PZP | 0.8954 |
7 | PXP | 0.8940 |
8 | P0P | 0.8933 |
9 | S8A | 0.8886 |
10 | GT1 | 0.8880 |
11 | 0J5 | 0.8864 |
12 | G6P | 0.8860 |
13 | F5C | 0.8830 |
14 | UQ1 | 0.8825 |
15 | Q9P | 0.8812 |
16 | GI4 | 0.8798 |
17 | PLR | 0.8792 |
18 | 2AN | 0.8785 |
19 | MW5 | 0.8779 |
20 | X0T | 0.8775 |
21 | GI1 | 0.8771 |
22 | NBV | 0.8752 |
23 | NPL | 0.8739 |
24 | Q5M | 0.8735 |
25 | Z25 | 0.8735 |
26 | CX4 | 0.8722 |
27 | 3LJ | 0.8722 |
28 | NHT | 0.8718 |
29 | OSB | 0.8703 |
30 | 5WS | 0.8693 |
31 | 9KZ | 0.8685 |
32 | 4WF | 0.8684 |
33 | 3TV | 0.8675 |
34 | PW1 | 0.8670 |
35 | YX1 | 0.8666 |
36 | 6HP | 0.8666 |
37 | BG6 | 0.8656 |
38 | AXX | 0.8643 |
39 | 5WM | 0.8642 |
40 | 3JN | 0.8637 |
41 | B61 | 0.8635 |
42 | TXW | 0.8621 |
43 | 52F | 0.8599 |
44 | BIE | 0.8577 |
45 | 8Y7 | 0.8564 |
46 | DYZ | 0.8560 |
This union binding pocket(no: 1) in the query (biounit: 4kot.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6TH0 | ACO | 5.55556 |