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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 26 families. | |||||
1 | 5H17 | ic50 = 0.89 uM | LQE | C23 H29 N O2 | CN1C[C@H](.... |
2 | 5U5T | ic50 = 3.9 uM | 7W7 | C14 H19 N3 O2 | [H]/N=C(/N.... |
3 | 5H19 | ic50 = 0.32 uM | LQF | C22 H20 N6 O | c1ccc(cc1).... |
4 | 5H24 | - | LQG | C12 H9 N5 O | c1cc(oc1)C.... |
5 | 5GSA | Kd = 82.5 nM | 73K | C17 H15 N5 O3 S | CS(=O)(=O).... |
6 | 5H14 | ic50 = 8.76 uM | LQB | C20 H20 N4 O2 | Cc1cc(n(n1.... |
7 | 5U62 | ic50 = 1.3 uM | 7WD | C15 H17 N3 O2 | c1cc(c2c(c.... |
8 | 5WUK | Kd = 14 nM | 73K | C17 H15 N5 O3 S | CS(=O)(=O).... |
9 | 5H15 | ic50 = 1.57 uM | LQD | C23 H29 N3 O | Cn1cc(c2c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 5H17 | ic50 = 0.89 uM | LQE | C23 H29 N O2 | CN1C[C@H](.... |
2 | 5U5T | ic50 = 3.9 uM | 7W7 | C14 H19 N3 O2 | [H]/N=C(/N.... |
3 | 5H19 | ic50 = 0.32 uM | LQF | C22 H20 N6 O | c1ccc(cc1).... |
4 | 5H24 | - | LQG | C12 H9 N5 O | c1cc(oc1)C.... |
5 | 5GSA | Kd = 82.5 nM | 73K | C17 H15 N5 O3 S | CS(=O)(=O).... |
6 | 5H14 | ic50 = 8.76 uM | LQB | C20 H20 N4 O2 | Cc1cc(n(n1.... |
7 | 5U62 | ic50 = 1.3 uM | 7WD | C15 H17 N3 O2 | c1cc(c2c(c.... |
8 | 5WUK | Kd = 14 nM | 73K | C17 H15 N5 O3 S | CS(=O)(=O).... |
9 | 5H15 | ic50 = 1.57 uM | LQD | C23 H29 N3 O | Cn1cc(c2c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LQG | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 34L | 0.9387 |
2 | EVO | 0.9290 |
3 | 3AK | 0.9232 |
4 | 39Z | 0.9151 |
5 | 0H5 | 0.9119 |
6 | 6XC | 0.9077 |
7 | H35 | 0.9063 |
8 | EMU | 0.9028 |
9 | X2M | 0.9026 |
10 | ML1 | 0.9019 |
11 | JHY | 0.9006 |
12 | Q9P | 0.9002 |
13 | PZB | 0.8980 |
14 | 8RK | 0.8960 |
15 | NPL | 0.8957 |
16 | HWH | 0.8956 |
17 | ZIP | 0.8954 |
18 | ASE | 0.8949 |
19 | BC3 | 0.8934 |
20 | Q5M | 0.8928 |
21 | 7M2 | 0.8926 |
22 | TQ3 | 0.8925 |
23 | AIQ | 0.8913 |
24 | 2T4 | 0.8908 |
25 | HA6 | 0.8906 |
26 | 74Z | 0.8902 |
27 | ZYW | 0.8885 |
28 | ZEA | 0.8879 |
29 | 3JC | 0.8869 |
30 | 3M8 | 0.8868 |
31 | CX4 | 0.8863 |
32 | A0O | 0.8861 |
33 | HHV | 0.8858 |
34 | JTF | 0.8858 |
35 | 64F | 0.8857 |
36 | NAR | 0.8856 |
37 | 9E3 | 0.8856 |
38 | 2UD | 0.8845 |
39 | ML2 | 0.8844 |
40 | NBF | 0.8823 |
41 | B4L | 0.8815 |
42 | NW1 | 0.8808 |
43 | WA2 | 0.8805 |
44 | SCE | 0.8783 |
45 | LP8 | 0.8783 |
46 | 1CE | 0.8772 |
47 | CMG | 0.8772 |
48 | MBP | 0.8766 |
49 | VKE | 0.8760 |
50 | UN4 | 0.8757 |
51 | A4V | 0.8757 |
52 | AC2 | 0.8746 |
53 | 3TI | 0.8746 |
54 | 1Q4 | 0.8744 |
55 | 22T | 0.8736 |
56 | RB1 | 0.8730 |
57 | FYJ | 0.8729 |
58 | G6P | 0.8724 |
59 | QUB | 0.8723 |
60 | 32V | 0.8722 |
61 | BG6 | 0.8721 |
62 | FUZ | 0.8719 |
63 | 4MX | 0.8715 |
64 | 28S | 0.8713 |
65 | 7VY | 0.8706 |
66 | 7NU | 0.8705 |
67 | NIP | 0.8697 |
68 | S0I | 0.8695 |
69 | SG6 | 0.8694 |
70 | CQW | 0.8681 |
71 | BZM | 0.8672 |
72 | NKI | 0.8669 |
73 | M02 | 0.8668 |
74 | HVE | 0.8659 |
75 | PLP | 0.8658 |
76 | PE2 | 0.8652 |
77 | 982 | 0.8641 |
78 | AUY | 0.8637 |
79 | GWD | 0.8621 |
80 | TWB | 0.8617 |
81 | GT1 | 0.8614 |
82 | UAY | 0.8612 |
83 | CRZ | 0.8610 |
84 | M1D | 0.8603 |
85 | 67Y | 0.8595 |
86 | 3LJ | 0.8595 |
87 | 6HP | 0.8591 |
88 | 5WS | 0.8582 |
89 | 6J5 | 0.8575 |
90 | RK4 | 0.8574 |
91 | MUX | 0.8571 |
92 | M01 | 0.8570 |
93 | 4R1 | 0.8564 |
94 | X0T | 0.8543 |
95 | MW5 | 0.8536 |
This union binding pocket(no: 1) in the query (biounit: 5wuk.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |