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- Structure Biounit | Ligand Information
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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 5 families. | |||||
1 | 3CF8 | Ki = 12.7 uM | QUE | C15 H10 O7 | c1cc(c(cc1.... |
2 | 3DOZ | ic50 = 1.98 uM | 3BE | C14 H9 Br3 N2 O3 | c1cc(cc(c1.... |
3 | 3ED0 | Kd = 0.45 uM | EMO | C15 H10 O5 | Cc1cc2c(c(.... |
4 | 3B7J | Ki = 6.8 uM | JUG | C10 H6 O3 | c1cc2c(c(c.... |
5 | 3DP3 | ic50 = 1.52 uM | 4BB | C18 H18 Br2 N2 O3 | CC(C)(C)c1.... |
6 | 3DP2 | ic50 = 1.5 uM | 4BE | C14 H9 Br3 N2 O3 | c1cc(ccc1C.... |
7 | 3DP1 | ic50 = 9.92 uM | 2RB | C15 H12 Br2 N2 O4 | COc1ccc(cc.... |
8 | 3D04 | Ki = 0.9 uM | SAK | C16 H14 O5 | COc1cc(c2c.... |
9 | 3DP0 | ic50 = 1.42 uM | 2BC | C18 H12 Br2 N2 O3 | c1ccc2cc(c.... |
10 | 3DOY | ic50 = 1.52 uM | 2BE | C14 H9 Br2 Cl N2 O3 | c1cc(ccc1C.... |
11 | 2GLP | Ki = 9.7 uM | BDE | C13 H9 Br2 N3 O3 | c1cc(cnc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3CF8 | Ki = 12.7 uM | QUE | C15 H10 O7 | c1cc(c(cc1.... |
2 | 3DOZ | ic50 = 1.98 uM | 3BE | C14 H9 Br3 N2 O3 | c1cc(cc(c1.... |
3 | 3ED0 | Kd = 0.45 uM | EMO | C15 H10 O5 | Cc1cc2c(c(.... |
4 | 3B7J | Ki = 6.8 uM | JUG | C10 H6 O3 | c1cc2c(c(c.... |
5 | 3DP3 | ic50 = 1.52 uM | 4BB | C18 H18 Br2 N2 O3 | CC(C)(C)c1.... |
6 | 3DP2 | ic50 = 1.5 uM | 4BE | C14 H9 Br3 N2 O3 | c1cc(ccc1C.... |
7 | 3DP1 | ic50 = 9.92 uM | 2RB | C15 H12 Br2 N2 O4 | COc1ccc(cc.... |
8 | 3D04 | Ki = 0.9 uM | SAK | C16 H14 O5 | COc1cc(c2c.... |
9 | 3DP0 | ic50 = 1.42 uM | 2BC | C18 H12 Br2 N2 O3 | c1ccc2cc(c.... |
10 | 3DOY | ic50 = 1.52 uM | 2BE | C14 H9 Br2 Cl N2 O3 | c1cc(ccc1C.... |
11 | 2GLP | Ki = 9.7 uM | BDE | C13 H9 Br2 N3 O3 | c1cc(cnc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | P9L | 0.9114 |
2 | 9W8 | 0.9107 |
3 | F91 | 0.9084 |
4 | T5J | 0.9074 |
5 | M62 | 0.9047 |
6 | 1VG | 0.9039 |
7 | 3K1 | 0.8972 |
8 | NPZ | 0.8961 |
9 | 4B8 | 0.8920 |
10 | EXP | 0.8909 |
11 | 9ME | 0.8898 |
12 | 4KN | 0.8867 |
13 | K3T | 0.8861 |
14 | S16 | 0.8856 |
15 | 5YA | 0.8855 |
16 | 14X | 0.8853 |
17 | 1UT | 0.8851 |
18 | CMZ | 0.8842 |
19 | SCE | 0.8841 |
20 | 0QX | 0.8838 |
21 | 97K | 0.8832 |
22 | Q2S | 0.8832 |
23 | 1V0 | 0.8823 |
24 | BCE | 0.8818 |
25 | EMU | 0.8816 |
26 | 1OX | 0.8811 |
27 | 5XM | 0.8811 |
28 | L02 | 0.8810 |
29 | 4P9 | 0.8809 |
30 | RF2 | 0.8807 |
31 | B4L | 0.8800 |
32 | 68Q | 0.8780 |
33 | AU6 | 0.8780 |
34 | T21 | 0.8779 |
35 | DX6 | 0.8774 |
36 | MRE | 0.8766 |
37 | 51P | 0.8755 |
38 | DN8 | 0.8752 |
39 | 5OA | 0.8745 |
40 | F38 | 0.8739 |
41 | 3TI | 0.8739 |
42 | 9M9 | 0.8731 |
43 | IW5 | 0.8707 |
44 | IHU | 0.8702 |
45 | CWP | 0.8701 |
46 | H0V | 0.8699 |
47 | 0RB | 0.8691 |
48 | GJW | 0.8682 |
49 | OUA | 0.8680 |
50 | OT4 | 0.8678 |
51 | 39R | 0.8671 |
52 | EX7 | 0.8665 |
53 | BFS | 0.8663 |
54 | 0UC | 0.8657 |
55 | SAQ | 0.8656 |
56 | NOJ BGC | 0.8651 |
57 | E92 | 0.8650 |
58 | KC8 | 0.8649 |
59 | 41L | 0.8647 |
60 | 2ZT | 0.8639 |
61 | IPJ | 0.8639 |
62 | BXZ | 0.8638 |
63 | LRT | 0.8630 |
64 | 334 | 0.8627 |
65 | M0S | 0.8625 |
66 | JZR | 0.8622 |
67 | OSY | 0.8617 |
68 | M0M | 0.8616 |
69 | OUG | 0.8611 |
70 | QUE | 0.8608 |
71 | 1UW | 0.8601 |
72 | TRP GLY | 0.8598 |
73 | UV4 | 0.8594 |
74 | 5EZ | 0.8593 |
75 | 6F3 | 0.8591 |
76 | 16V | 0.8586 |
77 | MBE | 0.8581 |
78 | M16 | 0.8571 |
79 | BZM | 0.8565 |
80 | IW3 | 0.8563 |
81 | W2E | 0.8553 |
82 | 1Q2 | 0.8549 |
83 | NNL | 0.8539 |
This union binding pocket(no: 1) in the query (biounit: 3d04.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3d04.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |