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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 | TC8 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | EF2 | 0.9275 |
2 | LZJ | 0.9207 |
3 | F4U | 0.9168 |
4 | 6EL | 0.9167 |
5 | F5F | 0.9138 |
6 | Y70 | 0.9114 |
7 | LZK | 0.9091 |
8 | JO5 | 0.9081 |
9 | 0OK | 0.9051 |
10 | JOB | 0.9035 |
11 | Q9G | 0.9018 |
12 | 64I | 0.8960 |
13 | LVY | 0.8958 |
14 | AUT | 0.8957 |
15 | 38B | 0.8952 |
16 | 3QI | 0.8939 |
17 | 1GM | 0.8921 |
18 | S0G | 0.8920 |
19 | EV2 | 0.8918 |
20 | TGW | 0.8855 |
21 | J84 | 0.8852 |
22 | KP2 | 0.8839 |
23 | LP8 | 0.8836 |
24 | CC6 | 0.8830 |
25 | OA4 | 0.8814 |
26 | KW7 | 0.8813 |
27 | NYJ | 0.8808 |
28 | PZ8 | 0.8769 |
29 | AUG | 0.8766 |
30 | Y0V | 0.8766 |
31 | AUE | 0.8765 |
32 | 4EU | 0.8736 |
33 | EI1 | 0.8734 |
34 | A9K | 0.8727 |
35 | A4T | 0.8722 |
36 | 4RV | 0.8717 |
37 | AU8 | 0.8714 |
38 | A4N | 0.8713 |
39 | CP7 | 0.8711 |
40 | L1T | 0.8708 |
41 | ADN | 0.8700 |
42 | CP6 | 0.8700 |
43 | 6DE | 0.8695 |
44 | XYP XYP | 0.8682 |
45 | CC5 | 0.8674 |
46 | ET | 0.8660 |
47 | J27 | 0.8660 |
48 | 4NR | 0.8652 |
49 | H75 | 0.8647 |
50 | H7S | 0.8645 |
51 | 9KZ | 0.8637 |
52 | 3RH | 0.8635 |
53 | DX7 | 0.8629 |
54 | 5AD | 0.8621 |
55 | IQW | 0.8610 |
56 | XYP XDN | 0.8609 |
57 | K48 | 0.8603 |
58 | XDN XYP | 0.8591 |
59 | 22L | 0.8588 |
60 | A4Q | 0.8583 |
61 | B2X | 0.8577 |
62 | 9GW | 0.8551 |
63 | ARJ | 0.8547 |
64 | 2JX | 0.8544 |
65 | FCW | 0.8540 |
66 | 0GA | 0.8537 |
This union binding pocket(no: 1) in the query (biounit: 3g3n.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |