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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 21 families. | |||||
1 | 3QIN | Kd = 136 nM | P1Y | C13 H11 Br N2 O5 | COc1ccc(cc.... |
2 | 3HYF | ic50 = 1.2 uM | ON1 | C12 H8 Cl2 N2 O4 | c1cc(c(cc1.... |
3 | 3QIO | Kd = 144 nM | QID | C14 H10 N2 O5 S | c1ccc(cc1).... |
4 | 3K2P | Kd = 6 uM | JTH | C10 H12 O3 | CC(C)C1=CC.... |
5 | 4QAG | ic50 = 4.8 uM | F95 | C11 H8 O6 | c1cc(c(c2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 3QIN | Kd = 136 nM | P1Y | C13 H11 Br N2 O5 | COc1ccc(cc.... |
2 | 3HYF | ic50 = 1.2 uM | ON1 | C12 H8 Cl2 N2 O4 | c1cc(c(cc1.... |
3 | 3QIO | Kd = 144 nM | QID | C14 H10 N2 O5 S | c1ccc(cc1).... |
4 | 3K2P | Kd = 6 uM | JTH | C10 H12 O3 | CC(C)C1=CC.... |
5 | 4QAG | ic50 = 4.8 uM | F95 | C11 H8 O6 | c1cc(c(c2c.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TCW | 0.9281 |
2 | LVE | 0.9229 |
3 | QC1 | 0.9166 |
4 | 0QX | 0.9122 |
5 | AX8 | 0.9091 |
6 | PU2 | 0.9080 |
7 | TOP | 0.9034 |
8 | 7WD | 0.9017 |
9 | 94M | 0.9015 |
10 | F0C | 0.9013 |
11 | J90 | 0.8997 |
12 | M62 | 0.8969 |
13 | 8MF | 0.8968 |
14 | 0RU | 0.8954 |
15 | 50Q | 0.8942 |
16 | N1Y | 0.8939 |
17 | 4P8 | 0.8935 |
18 | AX4 | 0.8918 |
19 | KUP | 0.8913 |
20 | R75 | 0.8907 |
21 | CMP | 0.8903 |
22 | 5AV | 0.8900 |
23 | C4F | 0.8900 |
24 | IM4 | 0.8888 |
25 | 4VT | 0.8879 |
26 | SCE | 0.8873 |
27 | GLA GAL | 0.8847 |
28 | 12R | 0.8826 |
29 | XDH | 0.8826 |
30 | NOJ BGC | 0.8822 |
31 | IWH | 0.8818 |
32 | FKG | 0.8808 |
33 | EMU | 0.8795 |
34 | I0D | 0.8794 |
35 | INI | 0.8791 |
36 | TH4 | 0.8791 |
37 | PNJ | 0.8783 |
38 | QTV | 0.8777 |
39 | JCQ | 0.8772 |
40 | 7VV | 0.8765 |
41 | A4V | 0.8759 |
42 | 5V3 | 0.8748 |
43 | XDI | 0.8742 |
44 | 5R9 | 0.8742 |
45 | HN3 | 0.8741 |
46 | D5F | 0.8739 |
47 | AEY | 0.8736 |
48 | MXA | 0.8714 |
49 | DE7 | 0.8710 |
50 | LFK | 0.8703 |
51 | 9ME | 0.8697 |
52 | GZT | 0.8694 |
53 | 9FN | 0.8684 |
54 | RK4 | 0.8682 |
55 | F91 | 0.8682 |
56 | YX0 | 0.8676 |
57 | ZEA | 0.8675 |
58 | D4X | 0.8672 |
59 | FEU | 0.8634 |
60 | BC3 | 0.8634 |
61 | HHV | 0.8633 |
62 | 6UW | 0.8617 |
63 | HN2 | 0.8614 |
64 | 6J7 | 0.8583 |
65 | CC2 | 0.8540 |
66 | QRP | 0.8531 |
67 | 3AK | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 3qin.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |