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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 | TM1 | 1 | 1 |
2 | 128 | 0.648148 | 0.975309 |
3 | 12D | 0.585586 | 0.9875 |
4 | 7D5 | 0.505376 | 0.741176 |
5 | AV2 | 0.490566 | 0.795181 |
6 | AMP | 0.489583 | 0.771084 |
7 | A | 0.489583 | 0.771084 |
8 | A2P | 0.465347 | 0.802469 |
9 | A3P | 0.465347 | 0.792683 |
10 | 7D3 | 0.455446 | 0.744186 |
11 | GGZ | 0.45045 | 0.722222 |
12 | ANZ | 0.45 | 0.77907 |
13 | ADP | 0.446602 | 0.77381 |
14 | AMP MG | 0.44 | 0.759036 |
15 | PAP | 0.439252 | 0.783133 |
16 | 2AM | 0.438776 | 0.771084 |
17 | A2D | 0.431373 | 0.77381 |
18 | ABM | 0.431373 | 0.732558 |
19 | 45A | 0.431373 | 0.732558 |
20 | V3L | 0.431193 | 0.795181 |
21 | J4G | 0.431034 | 0.758621 |
22 | 2A5 | 0.429907 | 0.735632 |
23 | PPS | 0.427273 | 0.706522 |
24 | ATR | 0.425926 | 0.792683 |
25 | SRA | 0.425743 | 0.735632 |
26 | OVE | 0.425743 | 0.744186 |
27 | AU1 | 0.424528 | 0.797619 |
28 | ADX | 0.424528 | 0.688172 |
29 | 7D4 | 0.424528 | 0.744186 |
30 | AP2 | 0.423077 | 0.747126 |
31 | BA3 | 0.423077 | 0.77381 |
32 | A12 | 0.423077 | 0.747126 |
33 | DA | 0.421569 | 0.741176 |
34 | D5M | 0.421569 | 0.741176 |
35 | KG4 | 0.420561 | 0.755814 |
36 | ATP | 0.420561 | 0.77381 |
37 | ACP | 0.420561 | 0.755814 |
38 | HEJ | 0.420561 | 0.77381 |
39 | 3AM | 0.42 | 0.759036 |
40 | AP5 | 0.419048 | 0.77381 |
41 | B4P | 0.419048 | 0.77381 |
42 | ACQ | 0.418182 | 0.755814 |
43 | ANP | 0.418182 | 0.797619 |
44 | PRX | 0.416667 | 0.715909 |
45 | 5FA | 0.416667 | 0.77381 |
46 | AQP | 0.416667 | 0.77381 |
47 | APC | 0.416667 | 0.747126 |
48 | ADP BEF | 0.415094 | 0.771084 |
49 | AN2 | 0.415094 | 0.785714 |
50 | AT4 | 0.415094 | 0.747126 |
51 | ADP MG | 0.415094 | 0.771084 |
52 | V2G | 0.414414 | 0.761364 |
53 | LQJ | 0.413223 | 0.795181 |
54 | APC MG | 0.412844 | 0.752941 |
55 | ATP MG | 0.412844 | 0.771084 |
56 | ADP PO3 | 0.412844 | 0.771084 |
57 | AD9 | 0.412844 | 0.755814 |
58 | CA0 | 0.411215 | 0.755814 |
59 | M33 | 0.411215 | 0.744186 |
60 | BEF ADP | 0.409091 | 0.752941 |
61 | 25A | 0.408696 | 0.795181 |
62 | 50T | 0.407407 | 0.744186 |
63 | CUU | 0.407407 | 0.77381 |
64 | 6YZ | 0.40708 | 0.755814 |
65 | GAP | 0.405405 | 0.755814 |
66 | TAT | 0.405405 | 0.747126 |
67 | T99 | 0.405405 | 0.747126 |
68 | ZZB | 0.40458 | 0.736264 |
69 | KL2 | 0.40404 | 0.746988 |
70 | AR6 | 0.40367 | 0.77381 |
71 | APR | 0.40367 | 0.77381 |
72 | ACK | 0.401961 | 0.765432 |
73 | QQY | 0.401961 | 0.729412 |
74 | 38Y | 0.401515 | 0.709677 |
75 | MAP | 0.4 | 0.77907 |
76 | ADV | 0.4 | 0.747126 |
77 | RBY | 0.4 | 0.747126 |
78 | AGS | 0.4 | 0.738636 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 3ar5.bio1) has 34 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |