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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 15 families. | |||||
1 | 3G3N | ic50 = 0.51 uM | TC8 | C15 H10 F2 N2 O S | CSC1=Nc2cc.... |
2 | 4Y2B | ic50 = 4.4 nM | EPK | C16 H18 N4 O S | CCN1C(=O)c.... |
3 | 1ZKL | ic50 = 8.1 uM | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
4 | 4PM0 | ic50 = 45 nM | 32V | C15 H17 N3 O S | CCN1C(=O)c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 10 families. | |||||
1 | 2QYN | ic50 = 0.57 uM | NPV | C21 H13 N3 O4 | c1cc(cc(c1.... |
2 | 6F8R | ic50 = 20 uM | CZK | C22 H31 N3 O4 | COc1ccc(cc.... |
3 | 6NJI | - | KR4 | C19 H19 Cl N4 O | CCc1nc(nc(.... |
4 | 3G58 | ic50 = 5 nM | 988 | C21 H15 N3 O2 | c1cc(cc(c1.... |
5 | 6BOJ | - | E31 | C21 H20 Cl N3 O | CCc1cc(nc(.... |
6 | 3SL6 | ic50 = 0.29 uM | JN8 | C22 H27 N3 O4 S2 | CCNC(=O)N1.... |
7 | 1OYN | ic50 = 0.55 uM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
8 | 6F8X | ic50 = 17 uM | D08 | C21 H30 N2 O6 | COc1ccc(cc.... |
9 | 2HD1 | ic50 ~ 500 uM | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
10 | 5OHJ | ic50 = 0.0378 nM | 9VE | C32 H34 Cl2 F2 N3 O8 S | CN(C)C(=O).... |
11 | 3G3N | ic50 = 0.51 uM | TC8 | C15 H10 F2 N2 O S | CSC1=Nc2cc.... |
12 | 4Y2B | ic50 = 4.4 nM | EPK | C16 H18 N4 O S | CCN1C(=O)c.... |
13 | 1ZKL | ic50 = 8.1 uM | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
14 | 4PM0 | ic50 = 45 nM | 32V | C15 H17 N3 O S | CCN1C(=O)c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 32V | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | A0O | 0.9095 |
2 | 2T4 | 0.9060 |
3 | 96U | 0.9039 |
4 | YEX | 0.9026 |
5 | ML2 | 0.9013 |
6 | VAR | 0.8990 |
7 | 8RK | 0.8976 |
8 | 7NU | 0.8964 |
9 | 5M8 | 0.8957 |
10 | UXH | 0.8946 |
11 | JHY | 0.8921 |
12 | ML1 | 0.8900 |
13 | EPK | 0.8892 |
14 | 8HG | 0.8879 |
15 | 5NN | 0.8872 |
16 | UI2 | 0.8864 |
17 | 74Z | 0.8861 |
18 | 7M5 | 0.8849 |
19 | BHF | 0.8845 |
20 | 3GX | 0.8845 |
21 | SNB | 0.8842 |
22 | QVK | 0.8842 |
23 | ROY | 0.8821 |
24 | 465 | 0.8814 |
25 | ROL | 0.8810 |
26 | JAK | 0.8809 |
27 | I46 | 0.8806 |
28 | 2AN | 0.8801 |
29 | KOM | 0.8786 |
30 | JY7 | 0.8780 |
31 | 0Q2 | 0.8777 |
32 | 372 | 0.8770 |
33 | EYM | 0.8767 |
34 | 6XC | 0.8765 |
35 | TQ1 | 0.8760 |
36 | HWH | 0.8743 |
37 | JTF | 0.8729 |
38 | 7M2 | 0.8727 |
39 | LQG | 0.8722 |
40 | EYA | 0.8716 |
41 | PD6 | 0.8703 |
42 | BIE | 0.8701 |
43 | 77X | 0.8680 |
44 | TQU | 0.8679 |
45 | AN1 | 0.8671 |
46 | DLZ | 0.8656 |
47 | B4L | 0.8648 |
48 | HA6 | 0.8646 |
49 | 3WJ | 0.8632 |
50 | 7MF | 0.8628 |
51 | 933 | 0.8626 |
52 | 0CV | 0.8620 |
53 | 1X8 | 0.8615 |
54 | FNA | 0.8612 |
55 | TCW | 0.8611 |
56 | 1J5 | 0.8606 |
57 | M49 | 0.8601 |
58 | YJX | 0.8600 |
59 | ABJ | 0.8597 |
60 | 1VY | 0.8596 |
61 | YM6 | 0.8580 |
62 | RDL | 0.8578 |
63 | GI4 | 0.8565 |
64 | YK9 | 0.8562 |
65 | RGG | 0.8561 |
66 | 5JW | 0.8556 |
67 | BPG | 0.8543 |
68 | APQ | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 4y2b.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6C7D | EOJ | 38.0117 |
2 | 6C7D | EOJ | 38.0117 |
3 | 6C7D | EOJ | 38.0117 |
4 | 6C7D | EOJ | 38.0117 |
5 | 5C2H | 4XU | 38.1215 |
6 | 5C2H | 4PX | 38.1215 |
7 | 5G57 | 6M5 | 41.9444 |
8 | 5G57 | 6M5 | 41.9444 |
9 | 1XM4 | PIL | 43.4447 |
10 | 1XMU | ROF | 43.4447 |
11 | 1XMU | ROF | 43.4447 |
12 | 1XM4 | PIL | 43.4447 |
13 | 1XON | PIL | 47.851 |
14 | 1XON | PIL | 47.851 |