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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 235 families. | |||||
1 | 1OJ8 | - | DA DC DG DA | n/a | n/a |
2 | 1OJ1 | - | CG2 | C19 H25 N8 O12 P | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1OJ8 | - | DA DC DG DA | n/a | n/a |
2 | 1OJ1 | - | CG2 | C19 H25 N8 O12 P | c1nc2c(n1[.... |
3 | 2I5S | - | DA DU DG DA | n/a | n/a |
4 | 2GMK | Ki = 590 uM | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CG2 | 1 | 1 |
2 | U2G | 0.8 | 1 |
3 | GPG | 0.71028 | 0.95 |
4 | GPC | 0.68595 | 0.939759 |
5 | G C | 0.634146 | 0.9625 |
6 | GDP | 0.622642 | 0.936709 |
7 | GNH | 0.616822 | 0.925 |
8 | GP3 | 0.613208 | 0.9375 |
9 | GSP | 0.609091 | 0.891566 |
10 | 5GP | 0.605769 | 0.924051 |
11 | G | 0.605769 | 0.924051 |
12 | GTP | 0.605505 | 0.936709 |
13 | G G G RPC | 0.595238 | 0.91358 |
14 | GMV | 0.590909 | 0.91358 |
15 | GCP | 0.585586 | 0.91358 |
16 | G1R | 0.585586 | 0.925 |
17 | GDD | 0.584746 | 0.95 |
18 | GKE | 0.584746 | 0.95 |
19 | GDC | 0.584746 | 0.95 |
20 | 9GM | 0.580357 | 0.91358 |
21 | GNP | 0.580357 | 0.91358 |
22 | A G C C | 0.575758 | 0.95 |
23 | GAV | 0.570175 | 0.902439 |
24 | G2R | 0.568965 | 0.902439 |
25 | G G G C | 0.568182 | 0.950617 |
26 | GP2 | 0.563636 | 0.902439 |
27 | G C C C | 0.558824 | 0.9625 |
28 | GKD | 0.552846 | 0.95 |
29 | G2P | 0.552632 | 0.902439 |
30 | 6CK | 0.54918 | 0.903614 |
31 | UPA | 0.543307 | 0.925 |
32 | G4P | 0.543103 | 0.924051 |
33 | GTG | 0.540984 | 0.903614 |
34 | GDR | 0.540984 | 0.925926 |
35 | GFB | 0.540984 | 0.925926 |
36 | JB2 | 0.540323 | 0.925926 |
37 | 0O2 | 0.537815 | 0.924051 |
38 | YGP | 0.53719 | 0.915663 |
39 | G3A | 0.536585 | 0.9375 |
40 | ALF 5GP | 0.535088 | 0.837209 |
41 | Y9Z | 0.532787 | 0.872093 |
42 | G5P | 0.532258 | 0.9375 |
43 | GMP | 0.529412 | 0.848101 |
44 | G3D | 0.525862 | 0.924051 |
45 | GPD | 0.52381 | 0.892857 |
46 | GDX | 0.52381 | 0.9375 |
47 | NGD | 0.523077 | 0.925926 |
48 | ZGP | 0.519084 | 0.840909 |
49 | G U | 0.519084 | 0.9625 |
50 | UCG | 0.517986 | 0.95 |
51 | G G | 0.516129 | 0.91358 |
52 | JB3 | 0.515385 | 0.914634 |
53 | CGP | 0.515152 | 0.927711 |
54 | 2GP | 0.513761 | 0.924051 |
55 | FEG | 0.51145 | 0.850575 |
56 | TPG | 0.510791 | 0.855556 |
57 | GDP AF3 | 0.508333 | 0.837209 |
58 | GDP ALF | 0.508333 | 0.837209 |
59 | ALF GDP | 0.508333 | 0.837209 |
60 | 3GP | 0.5 | 0.911392 |
61 | KB7 | 0.491379 | 0.8 |
62 | C2P | 0.490385 | 0.860759 |
63 | FE9 | 0.489209 | 0.791667 |
64 | G A A A | 0.485294 | 0.91358 |
65 | A G | 0.485294 | 0.901235 |
66 | GDP 7MG | 0.484375 | 0.879518 |
67 | U A G G | 0.481752 | 0.901235 |
68 | CAG | 0.478261 | 0.852273 |
69 | MGD | 0.478261 | 0.905882 |
70 | 2MD | 0.477941 | 0.905882 |
71 | PGD | 0.475177 | 0.915663 |
72 | DBG | 0.468531 | 0.914634 |
73 | MD1 | 0.464789 | 0.905882 |
74 | A G U | 0.463576 | 0.950617 |
75 | G U34 | 0.463235 | 0.950617 |
76 | GCP G | 0.460317 | 0.864198 |
77 | A G U U | 0.458065 | 0.950617 |
78 | DC DG | 0.456522 | 0.904762 |
79 | KBD | 0.452381 | 0.821429 |
80 | G1G | 0.450704 | 0.892857 |
81 | GPX | 0.44 | 0.8875 |
82 | KBJ | 0.438462 | 0.793103 |
83 | G4M | 0.437909 | 0.873563 |
84 | P2G | 0.42735 | 0.851852 |
85 | AKW | 0.42446 | 0.860465 |
86 | BGO | 0.42446 | 0.891566 |
87 | GH3 | 0.424 | 0.9125 |
88 | DGI | 0.421488 | 0.86747 |
89 | CDP | 0.421053 | 0.873418 |
90 | P1G | 0.420168 | 0.841463 |
91 | DGT | 0.419355 | 0.86747 |
92 | DG DC | 0.418919 | 0.892857 |
93 | CSV | 0.415385 | 0.841463 |
94 | CSQ | 0.415385 | 0.841463 |
95 | 91P | 0.414286 | 0.951219 |
96 | C5G | 0.412698 | 0.875 |
97 | HF4 | 0.410256 | 0.873418 |
98 | CTP | 0.410256 | 0.873418 |
99 | G1R G1R | 0.409396 | 0.891566 |
100 | 7XL | 0.408333 | 0.851852 |
101 | DGP | 0.40678 | 0.855422 |
102 | DG | 0.40678 | 0.855422 |
103 | PGD O | 0.406667 | 0.865169 |
104 | GGM | 0.405594 | 0.870588 |
105 | IDP | 0.404959 | 0.911392 |
106 | CDM | 0.404762 | 0.811765 |
107 | LRM | 0.404255 | 0.906977 |
108 | APC G U | 0.40411 | 0.855422 |
109 | A U C C | 0.4 | 0.91358 |