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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 1 families. | |||||
1 | 5AQP | - | 1LQ | C8 H7 N3 | c1ccc2c(c1.... |
2 | 5AQO | - | CWS | C9 H9 N3 | Cc1ccc2c(c.... |
3 | 3FZL | - | 3FD | C25 H23 Cl2 N7 O4 | c1cc(ccc1C.... |
4 | 5AQV | - | KC7 | C21 H23 N3 O4 | c1ccc(cc1).... |
5 | 3FZH | - | 3BH | C10 H14 N6 O4 | c1nc(c2c(n.... |
6 | 3FZK | - | 3BK | C17 H18 Cl2 N6 O4 | c1cc(c(cc1.... |
7 | 3FZF | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
8 | 5AQN | - | JG8 | C10 H6 N2 O2 | c1ccc2c(c1.... |
9 | 5AQT | - | 5P7 | C14 H17 N3 O3 | c1ccc2c(c1.... |
10 | 5AQF | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
11 | 3FZM | - | 3GO | C28 H26 N8 O4 | c1cc2cc(cc.... |
12 | 5AQI | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
13 | 5AQS | - | 1SQ | C9 H8 N2 | c1ccc2c(c1.... |
14 | 5AQH | - | ZVO | C8 H8 N6 | CN1c2c3c(c.... |
15 | 5AQK | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
16 | 5AQG | - | ZJB | C13 H16 N6 O4 | CN1c2c3c(c.... |
17 | 5AQR | - | N8Y | C9 H9 N3 O | COc1ccc2c(.... |
18 | 3M3Z | Kd = 12.36 uM | 3F5 | C13 H19 N7 O5 | CNc1nc2c(n.... |
19 | 5AQU | - | UX0 | C15 H19 N3 O4 | COc1cccc2c.... |
20 | 3LDQ | Kd = 2.41 uM | 3P1 | C20 H21 N7 O4 | c1ccc2c(c1.... |
21 | 5AQJ | - | Q88 | C5 H6 N6 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5AQP | - | 1LQ | C8 H7 N3 | c1ccc2c(c1.... |
2 | 5AQO | - | CWS | C9 H9 N3 | Cc1ccc2c(c.... |
3 | 3FZL | - | 3FD | C25 H23 Cl2 N7 O4 | c1cc(ccc1C.... |
4 | 5AQV | - | KC7 | C21 H23 N3 O4 | c1ccc(cc1).... |
5 | 3FZH | - | 3BH | C10 H14 N6 O4 | c1nc(c2c(n.... |
6 | 3FZK | - | 3BK | C17 H18 Cl2 N6 O4 | c1cc(c(cc1.... |
7 | 3FZF | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
8 | 5AQN | - | JG8 | C10 H6 N2 O2 | c1ccc2c(c1.... |
9 | 5AQT | - | 5P7 | C14 H17 N3 O3 | c1ccc2c(c1.... |
10 | 5AQF | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
11 | 3FZM | - | 3GO | C28 H26 N8 O4 | c1cc2cc(cc.... |
12 | 5AQI | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
13 | 5AQS | - | 1SQ | C9 H8 N2 | c1ccc2c(c1.... |
14 | 5AQH | - | ZVO | C8 H8 N6 | CN1c2c3c(c.... |
15 | 5AQK | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
16 | 5AQG | - | ZJB | C13 H16 N6 O4 | CN1c2c3c(c.... |
17 | 5AQR | - | N8Y | C9 H9 N3 O | COc1ccc2c(.... |
18 | 3M3Z | Kd = 12.36 uM | 3F5 | C13 H19 N7 O5 | CNc1nc2c(n.... |
19 | 5AQU | - | UX0 | C15 H19 N3 O4 | COc1cccc2c.... |
20 | 3LDQ | Kd = 2.41 uM | 3P1 | C20 H21 N7 O4 | c1ccc2c(c1.... |
21 | 5AQJ | - | Q88 | C5 H6 N6 | c1nc(c2c(n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ZJB | 0.9398 |
2 | 3WO | 0.9313 |
3 | 3WN | 0.9313 |
4 | KTM | 0.9227 |
5 | EKH | 0.9141 |
6 | FTU | 0.9140 |
7 | SGV | 0.9118 |
8 | HO4 | 0.9105 |
9 | 5ID | 0.9097 |
10 | 26A | 0.9012 |
11 | TO1 | 0.9007 |
12 | 7CI | 0.9001 |
13 | NPZ | 0.8991 |
14 | M3W | 0.8990 |
15 | GMP | 0.8984 |
16 | ADN | 0.8978 |
17 | 2AN | 0.8951 |
18 | VT3 | 0.8929 |
19 | MG7 | 0.8920 |
20 | 3WK | 0.8889 |
21 | LI4 | 0.8878 |
22 | 5I5 | 0.8854 |
23 | BGC BGC | 0.8839 |
24 | 3WJ | 0.8837 |
25 | 1Q4 | 0.8828 |
26 | 4JV | 0.8823 |
27 | MTA | 0.8814 |
28 | BJ4 | 0.8809 |
29 | 4L2 | 0.8805 |
30 | B2L | 0.8804 |
31 | RDL | 0.8797 |
32 | W8L | 0.8797 |
33 | H0V | 0.8796 |
34 | E9L | 0.8785 |
35 | IMH | 0.8784 |
36 | 5NN | 0.8783 |
37 | LM7 | 0.8781 |
38 | CDJ | 0.8781 |
39 | H2W | 0.8778 |
40 | NYJ | 0.8771 |
41 | BGC GAL | 0.8767 |
42 | 3GX | 0.8742 |
43 | AGI | 0.8724 |
44 | 2QU | 0.8720 |
45 | XTS | 0.8718 |
46 | 3F4 | 0.8717 |
47 | 25F | 0.8711 |
48 | 6BK | 0.8711 |
49 | SGW | 0.8702 |
50 | 5YA | 0.8696 |
51 | RPP | 0.8686 |
52 | VXM | 0.8682 |
53 | FNA | 0.8673 |
54 | MHD GAL | 0.8656 |
55 | TGW | 0.8654 |
56 | B4L | 0.8649 |
57 | L3L | 0.8647 |
58 | 0NU | 0.8646 |
59 | LU2 | 0.8646 |
60 | 25V | 0.8645 |
61 | GA2 | 0.8640 |
62 | 205 | 0.8640 |
63 | MTH | 0.8634 |
64 | DFL | 0.8633 |
65 | DIH | 0.8624 |
66 | INI | 0.8622 |
67 | C5I | 0.8618 |
68 | I0D | 0.8616 |
69 | 5DN | 0.8607 |
70 | 6XC | 0.8605 |
71 | D64 | 0.8597 |
72 | 1V1 | 0.8596 |
73 | 6J3 | 0.8578 |
74 | Y70 | 0.8578 |
75 | GLC BGC | 0.8572 |
76 | 5FD | 0.8567 |
77 | BNY | 0.8551 |
78 | 7GP | 0.8544 |
79 | XYS XYP | 0.8542 |
80 | DLZ | 0.8539 |
81 | 6EN | 0.8539 |
82 | 6GP | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 3ldq.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |