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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 2 families. | |||||
1 | 1GI9 | Ki = 1.1 uM | 123 | C15 H15 N4 O2 | COc1ccc(c(.... |
2 | 1O5A | Ki = 0.38 uM | 696 | C21 H17 N3 O | c1ccc(cc1).... |
3 | 1GJA | Ki = 3.8 uM | 135 | C14 H13 N3 O2 | [H]/N=C(c1.... |
4 | 1C5X | Ki = 0.21 uM | ESI | C9 H8 I N2 S | c1cc2c(cc(.... |
5 | 1GJB | Ki = 0.45 uM | 130 | C20 H16 N4 O | [H]/N=C(c1.... |
6 | 1C5Z | Ki = 97 uM | BAM | C7 H9 N2 | c1ccc(cc1).... |
7 | 3IG6 | ic50 = 0.025 uM | 438 | C33 H35 F2 N5 O4 | CN(C)c1ccc.... |
8 | 1O3P | Ki = 0.22 uM | 655 | C19 H20 N4 O2 | c1cc(c(c(c.... |
9 | 1GJ7 | Ki = 0.009 uM | 132 | C21 H17 Cl N3 O | c1ccc(cc1).... |
10 | 1C5W | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
11 | 1GJD | Ki = 6 uM | 136 | C15 H13 Cl I N3 O2 | [H]/N=C(c1.... |
12 | 1O5C | Ki = 6 uM | CR9 | C21 H23 F N4 O2 | C[C@H]1CCC.... |
13 | 1C5Y | Ki = 63 uM | ESP | C8 H8 N3 S | c1cc2cc(sc.... |
14 | 1GJC | Ki = 0.45 uM | 130 | C20 H16 N4 O | [H]/N=C(c1.... |
15 | 1GJ9 | Ki = 0.011 uM | 134 | C22 H24 F N3 O2 | [H]/N=C(c1.... |
16 | 1GJ8 | Ki = 0.11 uM | 133 | C18 H19 F N4 O2 | [H]/N=C(c1.... |
17 | 1O5B | Ki = 1.7 uM | ESI | C9 H8 I N2 S | c1cc2c(cc(.... |
18 | 1GI7 | Ki = 31 uM | 120 | C13 H12 N5 O | c1cc2c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1GI9 | Ki = 1.1 uM | 123 | C15 H15 N4 O2 | COc1ccc(c(.... |
2 | 1O5A | Ki = 0.38 uM | 696 | C21 H17 N3 O | c1ccc(cc1).... |
3 | 1GJA | Ki = 3.8 uM | 135 | C14 H13 N3 O2 | [H]/N=C(c1.... |
4 | 1C5X | Ki = 0.21 uM | ESI | C9 H8 I N2 S | c1cc2c(cc(.... |
5 | 1GJB | Ki = 0.45 uM | 130 | C20 H16 N4 O | [H]/N=C(c1.... |
6 | 1C5Z | Ki = 97 uM | BAM | C7 H9 N2 | c1ccc(cc1).... |
7 | 3IG6 | ic50 = 0.025 uM | 438 | C33 H35 F2 N5 O4 | CN(C)c1ccc.... |
8 | 1O3P | Ki = 0.22 uM | 655 | C19 H20 N4 O2 | c1cc(c(c(c.... |
9 | 1GJ7 | Ki = 0.009 uM | 132 | C21 H17 Cl N3 O | c1ccc(cc1).... |
10 | 1C5W | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
11 | 1GJD | Ki = 6 uM | 136 | C15 H13 Cl I N3 O2 | [H]/N=C(c1.... |
12 | 1O5C | Ki = 6 uM | CR9 | C21 H23 F N4 O2 | C[C@H]1CCC.... |
13 | 1C5Y | Ki = 63 uM | ESP | C8 H8 N3 S | c1cc2cc(sc.... |
14 | 1GJC | Ki = 0.45 uM | 130 | C20 H16 N4 O | [H]/N=C(c1.... |
15 | 1GJ9 | Ki = 0.011 uM | 134 | C22 H24 F N3 O2 | [H]/N=C(c1.... |
16 | 1GJ8 | Ki = 0.11 uM | 133 | C18 H19 F N4 O2 | [H]/N=C(c1.... |
17 | 1O5B | Ki = 1.7 uM | ESI | C9 H8 I N2 S | c1cc2c(cc(.... |
18 | 1GI7 | Ki = 31 uM | 120 | C13 H12 N5 O | c1cc2c(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 136 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | M16 | 0.9176 |
2 | J2N | 0.9108 |
3 | BOS | 0.9077 |
4 | 8E3 | 0.9076 |
5 | A64 | 0.9076 |
6 | 8EC | 0.9052 |
7 | J8D | 0.9049 |
8 | 8E6 | 0.9046 |
9 | 135 | 0.9037 |
10 | OSY | 0.9015 |
11 | OSJ | 0.9001 |
12 | STL | 0.8964 |
13 | O53 | 0.8964 |
14 | 29F | 0.8949 |
15 | 6JP | 0.8942 |
16 | 06R | 0.8940 |
17 | PIT | 0.8937 |
18 | NNF | 0.8930 |
19 | OSD | 0.8922 |
20 | W2E | 0.8907 |
21 | GN5 | 0.8902 |
22 | 1UR | 0.8896 |
23 | 27F | 0.8896 |
24 | IY5 | 0.8895 |
25 | 907 | 0.8887 |
26 | LU2 | 0.8886 |
27 | 334 | 0.8883 |
28 | G2V | 0.8866 |
29 | XAV | 0.8865 |
30 | 1V0 | 0.8835 |
31 | TFX | 0.8833 |
32 | 5XM | 0.8808 |
33 | OSG | 0.8806 |
34 | 8XY | 0.8805 |
35 | Y27 | 0.8802 |
36 | 6BK | 0.8800 |
37 | 31F | 0.8798 |
38 | 2ZI | 0.8795 |
39 | 3RL | 0.8789 |
40 | DZ3 | 0.8784 |
41 | F36 | 0.8778 |
42 | IW5 | 0.8772 |
43 | QUE | 0.8759 |
44 | NAR | 0.8755 |
45 | FJU | 0.8750 |
46 | F08 | 0.8749 |
47 | 124 | 0.8740 |
48 | 1UT | 0.8728 |
49 | 1R5 | 0.8728 |
50 | 47X | 0.8726 |
51 | WF4 | 0.8717 |
52 | 1V8 | 0.8716 |
53 | DX8 | 0.8715 |
54 | 08C | 0.8714 |
55 | AGI | 0.8709 |
56 | 83D | 0.8707 |
57 | MRE | 0.8706 |
58 | 802 | 0.8706 |
59 | 9C8 | 0.8704 |
60 | 6H2 | 0.8689 |
61 | A63 | 0.8688 |
62 | AZB | 0.8682 |
63 | J2W | 0.8670 |
64 | CNK | 0.8665 |
65 | 1UA | 0.8663 |
66 | 738 | 0.8661 |
67 | LZ3 | 0.8649 |
68 | NU3 | 0.8641 |
69 | 1VG | 0.8640 |
70 | OUA | 0.8639 |
71 | 1UW | 0.8638 |
72 | MYC | 0.8621 |
73 | OUG | 0.8615 |
74 | 7FZ | 0.8602 |
75 | AX1 | 0.8598 |
76 | 5WW | 0.8593 |
77 | 9EG | 0.8583 |
78 | 120 | 0.8577 |
79 | J8G | 0.8576 |
80 | MI2 | 0.8554 |
81 | AT2 | 0.8548 |
82 | SAK | 0.8538 |
83 | DQH | 0.8519 |