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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3AR2 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
2 | 2AGV | Kd = 20 nM | BHQ | C14 H22 O2 | CC(C)(C)c1.... |
3 | 3AR5 | Kd = 7.62 nM | TM1 | C16 H15 N8 O13 P | c1nc(c2c(n.... |
4 | 2ZBD | - | ALF ADP | n/a | n/a |
5 | 3FGO | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
6 | 2DQS | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
7 | 1WPG | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
8 | 3AR4 | Kd = 156 nM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
9 | 3AR3 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
10 | 3AR6 | - | 12D | C16 H16 N8 O16 P2 | c1nc(c2c(n.... |
11 | 3AR7 | - | 128 | C16 H17 N8 O19 P3 | 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 | 3AR2 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
2 | 2AGV | Kd = 20 nM | BHQ | C14 H22 O2 | CC(C)(C)c1.... |
3 | 3AR5 | Kd = 7.62 nM | TM1 | C16 H15 N8 O13 P | c1nc(c2c(n.... |
4 | 2ZBD | - | ALF ADP | n/a | n/a |
5 | 3FGO | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
6 | 2DQS | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
7 | 1WPG | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
8 | 3AR4 | Kd = 156 nM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
9 | 3AR3 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
10 | 3AR6 | - | 12D | C16 H16 N8 O16 P2 | c1nc(c2c(n.... |
11 | 3AR7 | - | 128 | C16 H17 N8 O19 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 128 | 1 | 1 |
2 | TM1 | 0.648148 | 0.975309 |
3 | 12D | 0.617391 | 0.987654 |
4 | 7D4 | 0.548077 | 0.747126 |
5 | ATP | 0.542857 | 0.776471 |
6 | HEJ | 0.542857 | 0.776471 |
7 | AV2 | 0.541284 | 0.797619 |
8 | 5FA | 0.537736 | 0.776471 |
9 | AQP | 0.537736 | 0.776471 |
10 | AP5 | 0.5 | 0.776471 |
11 | ADP | 0.5 | 0.776471 |
12 | B4P | 0.5 | 0.776471 |
13 | 3AT | 0.495495 | 0.776471 |
14 | 2A5 | 0.495413 | 0.738636 |
15 | 7D3 | 0.495238 | 0.747126 |
16 | BA3 | 0.490566 | 0.776471 |
17 | 6YZ | 0.482456 | 0.758621 |
18 | DTP | 0.482143 | 0.747126 |
19 | ATR | 0.477477 | 0.795181 |
20 | A2D | 0.471698 | 0.776471 |
21 | 25L | 0.471074 | 0.788235 |
22 | DDS | 0.469027 | 0.764706 |
23 | PAP | 0.464286 | 0.785714 |
24 | AGS | 0.464286 | 0.741573 |
25 | GGZ | 0.461538 | 0.725275 |
26 | ACQ | 0.45614 | 0.758621 |
27 | ANP | 0.45614 | 0.8 |
28 | TAT | 0.45614 | 0.75 |
29 | T99 | 0.45614 | 0.75 |
30 | M33 | 0.45045 | 0.747126 |
31 | ACP | 0.446429 | 0.758621 |
32 | CUU | 0.446429 | 0.776471 |
33 | APR | 0.442478 | 0.776471 |
34 | AR6 | 0.442478 | 0.776471 |
35 | AT4 | 0.441441 | 0.75 |
36 | AN2 | 0.441441 | 0.788235 |
37 | AD9 | 0.438596 | 0.758621 |
38 | ADX | 0.4375 | 0.691489 |
39 | DAT | 0.433628 | 0.747126 |
40 | AMP | 0.429907 | 0.752941 |
41 | A | 0.429907 | 0.752941 |
42 | HQG | 0.428571 | 0.788235 |
43 | A2R | 0.428571 | 0.788235 |
44 | 7D5 | 0.428571 | 0.724138 |
45 | G5P | 0.426357 | 0.784091 |
46 | A22 | 0.425 | 0.788235 |
47 | ATF | 0.423729 | 0.75 |
48 | GTA | 0.423077 | 0.777778 |
49 | G3A | 0.418605 | 0.784091 |
50 | ADQ | 0.418033 | 0.77907 |
51 | A3R | 0.418033 | 0.714286 |
52 | PRX | 0.417391 | 0.7 |
53 | APC | 0.417391 | 0.75 |
54 | PPS | 0.415254 | 0.709677 |
55 | LQJ | 0.414062 | 0.776471 |
56 | ADP PO3 | 0.413793 | 0.752941 |
57 | ATP MG | 0.413793 | 0.752941 |
58 | APC MG | 0.413793 | 0.735632 |
59 | AMP MG | 0.412844 | 0.741176 |
60 | CA0 | 0.412281 | 0.758621 |
61 | NA7 | 0.41129 | 0.75 |
62 | A2P | 0.410714 | 0.783133 |
63 | T5A | 0.408759 | 0.741935 |
64 | KG4 | 0.408696 | 0.758621 |
65 | 50T | 0.408696 | 0.747126 |
66 | A1R | 0.406504 | 0.714286 |
67 | ABM | 0.405405 | 0.715909 |
68 | 45A | 0.405405 | 0.715909 |
69 | 3OD | 0.404762 | 0.758621 |
70 | BIS | 0.404762 | 0.733333 |
71 | ADP MG | 0.403509 | 0.752941 |
72 | ADP BEF | 0.403509 | 0.752941 |
73 | JNT | 0.403226 | 0.738636 |
74 | ITT | 0.4 | 0.732558 |
75 | 9X8 | 0.4 | 0.741573 |
76 | HDV | 0.4 | 0.738636 |
77 | VO4 ADP | 0.4 | 0.758621 |
78 | SRA | 0.4 | 0.719101 |
79 | OAD | 0.4 | 0.758621 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3ar5.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |