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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 2IMW | - | DDS | C10 H16 N5 O11 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 2IMW | - | DDS | C10 H16 N5 O11 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DDS | 1 | 1 |
2 | DTP | 0.694118 | 0.944444 |
3 | 3AT | 0.617977 | 0.878378 |
4 | DAT | 0.609195 | 0.944444 |
5 | 7D4 | 0.597701 | 0.891892 |
6 | ATP | 0.590909 | 0.878378 |
7 | HEJ | 0.590909 | 0.878378 |
8 | AQP | 0.58427 | 0.878378 |
9 | 5FA | 0.58427 | 0.878378 |
10 | B4P | 0.539326 | 0.853333 |
11 | AP5 | 0.539326 | 0.853333 |
12 | CUU | 0.538462 | 0.878378 |
13 | DA | 0.528736 | 0.916667 |
14 | D5M | 0.528736 | 0.916667 |
15 | BA3 | 0.52809 | 0.853333 |
16 | ZDA | 0.526882 | 0.826667 |
17 | ADP | 0.522222 | 0.878378 |
18 | 7D3 | 0.516854 | 0.891892 |
19 | A2D | 0.505618 | 0.853333 |
20 | 25L | 0.5 | 0.866667 |
21 | 2A5 | 0.5 | 0.905405 |
22 | 6YZ | 0.5 | 0.855263 |
23 | AT4 | 0.5 | 0.844156 |
24 | DZ4 | 0.494845 | 0.918919 |
25 | AGS | 0.494737 | 0.833333 |
26 | ATR | 0.494737 | 0.902778 |
27 | 3L1 | 0.487805 | 0.783784 |
28 | 3D1 | 0.487805 | 0.783784 |
29 | HF7 | 0.484848 | 0.931507 |
30 | T99 | 0.484536 | 0.844156 |
31 | TAT | 0.484536 | 0.844156 |
32 | 101 | 0.483146 | 0.890411 |
33 | PAP | 0.479167 | 0.890411 |
34 | M33 | 0.478723 | 0.842105 |
35 | AV2 | 0.474747 | 0.878378 |
36 | AS | 0.472527 | 0.868421 |
37 | ACQ | 0.469388 | 0.855263 |
38 | 128 | 0.469027 | 0.764706 |
39 | APR | 0.46875 | 0.853333 |
40 | AR6 | 0.46875 | 0.853333 |
41 | AN2 | 0.468085 | 0.866667 |
42 | AD9 | 0.463918 | 0.855263 |
43 | ACP | 0.458333 | 0.855263 |
44 | A | 0.455556 | 0.851351 |
45 | AMP | 0.455556 | 0.851351 |
46 | 103 | 0.455556 | 0.8 |
47 | 7D5 | 0.454545 | 0.864865 |
48 | ANP | 0.454545 | 0.855263 |
49 | A3R | 0.451923 | 0.87013 |
50 | A2R | 0.45098 | 0.866667 |
51 | HQG | 0.45098 | 0.866667 |
52 | ADX | 0.447917 | 0.771084 |
53 | A22 | 0.446602 | 0.866667 |
54 | NA7 | 0.443396 | 0.893333 |
55 | 5F1 | 0.44186 | 0.743243 |
56 | 45A | 0.44086 | 0.805195 |
57 | ABM | 0.44086 | 0.805195 |
58 | APC | 0.438776 | 0.868421 |
59 | ADQ | 0.438095 | 0.831169 |
60 | A1R | 0.438095 | 0.87013 |
61 | KF5 | 0.433735 | 0.676056 |
62 | G5P | 0.433628 | 0.8125 |
63 | ITT | 0.43299 | 0.826667 |
64 | CA0 | 0.43299 | 0.831169 |
65 | A3P | 0.431579 | 0.876712 |
66 | A2P | 0.431579 | 0.888889 |
67 | HDV | 0.431373 | 0.855263 |
68 | ATF | 0.431373 | 0.844156 |
69 | JSQ | 0.43 | 0.833333 |
70 | HFD | 0.43 | 0.833333 |
71 | KG4 | 0.428571 | 0.831169 |
72 | 50T | 0.428571 | 0.842105 |
73 | G3A | 0.424779 | 0.8125 |
74 | PRX | 0.424242 | 0.831169 |
75 | 3OD | 0.422018 | 0.831169 |
76 | PPS | 0.421569 | 0.792683 |
77 | 8LE | 0.421569 | 0.7875 |
78 | JNT | 0.420561 | 0.855263 |
79 | AMP MG | 0.419355 | 0.813333 |
80 | OVE | 0.419355 | 0.842105 |
81 | AU1 | 0.418367 | 0.855263 |
82 | 2AM | 0.417582 | 0.876712 |
83 | AP2 | 0.416667 | 0.868421 |
84 | 9X8 | 0.416667 | 0.810127 |
85 | A12 | 0.416667 | 0.868421 |
86 | OAD | 0.416667 | 0.831169 |
87 | T5A | 0.413223 | 0.807229 |
88 | 3AM | 0.413043 | 0.837838 |
89 | CPA | 0.411765 | 0.814815 |
90 | DGT | 0.409524 | 0.858974 |
91 | A4P | 0.408333 | 0.767442 |
92 | ADP BEF | 0.408163 | 0.826667 |
93 | ADP MG | 0.408163 | 0.826667 |
94 | 5AL | 0.407767 | 0.818182 |
95 | UP5 | 0.40678 | 0.810127 |
96 | NAX | 0.40678 | 0.814815 |
97 | APC MG | 0.405941 | 0.828947 |
98 | GGZ | 0.40566 | 0.790123 |
99 | GTA | 0.405172 | 0.783133 |
100 | SRA | 0.404255 | 0.807692 |
101 | OZV | 0.401869 | 0.853333 |
102 | 8QN | 0.401869 | 0.818182 |
103 | GH3 | 0.401869 | 0.810127 |
104 | 25A | 0.401869 | 0.853333 |
105 | 12D | 0.401709 | 0.77381 |
106 | NPW | 0.401639 | 0.82716 |
107 | PR8 | 0.4 | 0.8375 |
108 | SRP | 0.4 | 0.820513 |
109 | 8LH | 0.4 | 0.797468 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2imw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |