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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 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 | 12D | 1 | 1 |
2 | 128 | 0.617391 | 0.987654 |
3 | TM1 | 0.585586 | 0.9875 |
4 | AV2 | 0.566038 | 0.807229 |
5 | 7D3 | 0.519608 | 0.755814 |
6 | ADP | 0.509615 | 0.785714 |
7 | PAP | 0.5 | 0.795181 |
8 | 2A5 | 0.490741 | 0.747126 |
9 | ATR | 0.486239 | 0.804878 |
10 | CUU | 0.481481 | 0.785714 |
11 | 7D4 | 0.472222 | 0.755814 |
12 | GGZ | 0.469565 | 0.733333 |
13 | HEJ | 0.46789 | 0.785714 |
14 | ATP | 0.46789 | 0.785714 |
15 | 5FA | 0.463636 | 0.785714 |
16 | AQP | 0.463636 | 0.785714 |
17 | DAT | 0.454545 | 0.755814 |
18 | AP5 | 0.453704 | 0.785714 |
19 | B4P | 0.453704 | 0.785714 |
20 | A2D | 0.45283 | 0.785714 |
21 | 6YZ | 0.452174 | 0.767442 |
22 | ACQ | 0.451327 | 0.767442 |
23 | BA3 | 0.444444 | 0.785714 |
24 | ACP | 0.441441 | 0.767442 |
25 | 3AT | 0.438596 | 0.785714 |
26 | ANP | 0.438596 | 0.809524 |
27 | APR | 0.4375 | 0.785714 |
28 | AR6 | 0.4375 | 0.785714 |
29 | 7D5 | 0.436893 | 0.732558 |
30 | AT4 | 0.436364 | 0.758621 |
31 | AN2 | 0.436364 | 0.797619 |
32 | AD9 | 0.433628 | 0.767442 |
33 | M33 | 0.432432 | 0.755814 |
34 | LQJ | 0.432 | 0.785714 |
35 | T99 | 0.426087 | 0.758621 |
36 | TAT | 0.426087 | 0.758621 |
37 | PRX | 0.424779 | 0.707865 |
38 | A | 0.424528 | 0.761905 |
39 | AMP | 0.424528 | 0.761905 |
40 | A2R | 0.423729 | 0.797619 |
41 | PPS | 0.422414 | 0.717391 |
42 | AGS | 0.421053 | 0.75 |
43 | ADX | 0.419643 | 0.698925 |
44 | ATF | 0.418803 | 0.758621 |
45 | DTP | 0.413793 | 0.755814 |
46 | APC | 0.412281 | 0.758621 |
47 | HQG | 0.411765 | 0.797619 |
48 | ADP MG | 0.410714 | 0.761905 |
49 | ADP BEF | 0.410714 | 0.761905 |
50 | A22 | 0.408333 | 0.797619 |
51 | 25L | 0.408 | 0.797619 |
52 | AMP MG | 0.407407 | 0.75 |
53 | CA0 | 0.40708 | 0.767442 |
54 | OAD | 0.406504 | 0.767442 |
55 | A3P | 0.405405 | 0.783133 |
56 | A2P | 0.405405 | 0.792683 |
57 | 50T | 0.403509 | 0.755814 |
58 | KG4 | 0.403509 | 0.767442 |
59 | SRP | 0.403361 | 0.738636 |
60 | DDS | 0.401709 | 0.77381 |
61 | ADQ | 0.401639 | 0.788235 |
62 | 3OD | 0.4 | 0.767442 |
63 | BIS | 0.4 | 0.741573 |
64 | 45A | 0.4 | 0.724138 |
65 | ABM | 0.4 | 0.724138 |
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 |