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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 10 families. | |||||
1 | 6D30 | - | U U | n/a | n/a |
2 | 6D2Z | - | U A | n/a | n/a |
3 | 6D31 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 6D30 | - | U U | n/a | n/a |
2 | 6D2Z | - | U A | n/a | n/a |
3 | 6D31 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | U A | 1 | 1 |
2 | U A A U | 0.854701 | 1 |
3 | A U | 0.741379 | 0.960526 |
4 | A U C C | 0.707692 | 0.935897 |
5 | A A | 0.684685 | 0.933333 |
6 | A G U U | 0.673913 | 0.925 |
7 | A G U | 0.649635 | 0.925 |
8 | U U | 0.645455 | 0.88 |
9 | UP5 | 0.644628 | 0.960526 |
10 | 4TC | 0.634146 | 0.935897 |
11 | UPA | 0.634146 | 0.948052 |
12 | U U U U | 0.633027 | 0.866667 |
13 | APU | 0.616 | 0.960526 |
14 | A C A C | 0.590909 | 0.935897 |
15 | U A C C | 0.578947 | 0.948052 |
16 | G A A A | 0.568182 | 0.8875 |
17 | 139 | 0.557252 | 0.9125 |
18 | A G | 0.556391 | 0.898734 |
19 | ATP A A A | 0.552846 | 0.92 |
20 | ATP A | 0.552846 | 0.92 |
21 | U A G G | 0.552239 | 0.898734 |
22 | G U | 0.545455 | 0.9125 |
23 | ADP MG | 0.526786 | 0.906667 |
24 | GAP | 0.525862 | 0.884615 |
25 | ADP BMA | 0.512195 | 0.884615 |
26 | ADP PO3 | 0.508621 | 0.906667 |
27 | ATP MG | 0.508621 | 0.906667 |
28 | G G | 0.507812 | 0.911392 |
29 | G C C C | 0.496552 | 0.936709 |
30 | DAL AMP | 0.491803 | 0.896104 |
31 | UTP U U U | 0.491667 | 0.826667 |
32 | ALF ADP | 0.491667 | 0.839506 |
33 | ADP ALF | 0.491667 | 0.839506 |
34 | A | 0.490909 | 0.906667 |
35 | AMP | 0.490909 | 0.906667 |
36 | MYR AMP | 0.488189 | 0.811765 |
37 | ADP VO4 | 0.487603 | 0.896104 |
38 | VO4 ADP | 0.487603 | 0.896104 |
39 | PUA | 0.482517 | 0.924051 |
40 | G G G C | 0.482517 | 0.949367 |
41 | 4TA | 0.478571 | 0.890244 |
42 | ADP | 0.478261 | 0.907895 |
43 | SFB | 0.477941 | 0.769231 |
44 | 45A | 0.477876 | 0.858974 |
45 | ABM | 0.477876 | 0.858974 |
46 | A2D | 0.477876 | 0.907895 |
47 | A A A | 0.47619 | 0.871795 |
48 | PRX | 0.474576 | 0.8375 |
49 | AN2 | 0.474138 | 0.896104 |
50 | SRA | 0.473214 | 0.860759 |
51 | AGS | 0.470588 | 0.8625 |
52 | APC MG | 0.470588 | 0.883117 |
53 | SAP | 0.470588 | 0.8625 |
54 | A12 | 0.469565 | 0.873418 |
55 | BA3 | 0.469565 | 0.907895 |
56 | AP2 | 0.469565 | 0.873418 |
57 | Z5A | 0.469388 | 0.858824 |
58 | APC G U | 0.468531 | 0.851852 |
59 | AP5 | 0.465517 | 0.907895 |
60 | B4P | 0.465517 | 0.907895 |
61 | TYR AMP | 0.462121 | 0.886076 |
62 | AT4 | 0.461538 | 0.873418 |
63 | ADQ | 0.460317 | 0.884615 |
64 | G3A | 0.458647 | 0.8875 |
65 | CA0 | 0.457627 | 0.884615 |
66 | ADX | 0.457627 | 0.8 |
67 | AU1 | 0.457627 | 0.884615 |
68 | M33 | 0.457627 | 0.871795 |
69 | A22 | 0.456 | 0.921053 |
70 | ATF | 0.455285 | 0.873418 |
71 | ARG AMP | 0.455224 | 0.823529 |
72 | G5P | 0.455224 | 0.8875 |
73 | ACP | 0.453782 | 0.884615 |
74 | HEJ | 0.453782 | 0.907895 |
75 | ATP | 0.453782 | 0.907895 |
76 | KG4 | 0.453782 | 0.884615 |
77 | 50T | 0.453782 | 0.871795 |
78 | 5AS | 0.452991 | 0.736264 |
79 | 25A | 0.452381 | 0.933333 |
80 | 8LH | 0.451613 | 0.873418 |
81 | AMP DBH | 0.451128 | 0.860759 |
82 | T99 | 0.45082 | 0.873418 |
83 | TAT | 0.45082 | 0.873418 |
84 | ANP | 0.45082 | 0.884615 |
85 | G C | 0.450704 | 0.9125 |
86 | 5FA | 0.45 | 0.907895 |
87 | U2G | 0.45 | 0.901235 |
88 | AQP | 0.45 | 0.907895 |
89 | APC | 0.45 | 0.873418 |
90 | AR6 | 0.45 | 0.883117 |
91 | APR | 0.45 | 0.883117 |
92 | NAJ PZO | 0.448276 | 0.911392 |
93 | HQG | 0.448 | 0.896104 |
94 | AD9 | 0.446281 | 0.884615 |
95 | ADV | 0.446281 | 0.85 |
96 | RBY | 0.446281 | 0.85 |
97 | LPA AMP | 0.445255 | 0.811765 |
98 | AR6 AR6 | 0.444444 | 0.907895 |
99 | PO4 PO4 A A A A PO4 | 0.44186 | 0.893333 |
100 | 9X8 | 0.44186 | 0.839506 |
101 | 5SV | 0.440945 | 0.797619 |
102 | 4UV | 0.440298 | 0.910256 |
103 | A G C C | 0.439189 | 0.924051 |
104 | ACQ | 0.439024 | 0.884615 |
105 | TXE | 0.438849 | 0.923077 |
106 | LMS | 0.438596 | 0.77907 |
107 | PAJ | 0.4375 | 0.831325 |
108 | A3R | 0.4375 | 0.829268 |
109 | 4AD | 0.4375 | 0.886076 |
110 | T5A | 0.43662 | 0.879518 |
111 | 8LE | 0.435484 | 0.8625 |
112 | 5AL | 0.435484 | 0.896104 |
113 | 4UU | 0.433824 | 0.910256 |
114 | MAP | 0.433071 | 0.8625 |
115 | 8LQ | 0.433071 | 0.873418 |
116 | UDP ALA FGA CYS DAL DAL MUB C C A9Z | 0.433036 | 0.806452 |
117 | A4P | 0.432624 | 0.858824 |
118 | 25L | 0.431818 | 0.921053 |
119 | GTA | 0.430657 | 0.878049 |
120 | 6YZ | 0.428571 | 0.884615 |
121 | 9SN | 0.428571 | 0.864198 |
122 | AF3 ADP 3PG | 0.428571 | 0.831325 |
123 | SRP | 0.428571 | 0.873418 |
124 | AMP NAD | 0.427586 | 0.921053 |
125 | AHZ | 0.427536 | 0.811765 |
126 | PR8 | 0.427481 | 0.821429 |
127 | NAJ PYZ | 0.426667 | 0.86747 |
128 | A1R | 0.426357 | 0.829268 |
129 | AMO | 0.426357 | 0.873418 |
130 | SON | 0.425 | 0.897436 |
131 | 1ZZ | 0.424242 | 0.811765 |
132 | BIS | 0.424242 | 0.851852 |
133 | 3OD | 0.424242 | 0.884615 |
134 | AHX | 0.423077 | 0.841463 |
135 | 6V0 | 0.421429 | 0.911392 |
136 | TXD | 0.421429 | 0.898734 |
137 | NAI | 0.421429 | 0.923077 |
138 | G G G RPC | 0.42069 | 0.911392 |
139 | A3P | 0.420168 | 0.906667 |
140 | OAD | 0.419847 | 0.884615 |
141 | OOB | 0.418605 | 0.921053 |
142 | 8QN | 0.418605 | 0.896104 |
143 | 9ZA | 0.418605 | 0.875 |
144 | OZV | 0.418605 | 0.883117 |
145 | 9ZD | 0.418605 | 0.875 |
146 | UPU | 0.418033 | 0.842105 |
147 | NAD | 0.417808 | 0.946667 |
148 | WAQ | 0.416667 | 0.851852 |
149 | LAD | 0.416667 | 0.831325 |
150 | AP0 | 0.415493 | 0.8875 |
151 | B5Y | 0.414815 | 0.886076 |
152 | C C C C | 0.414062 | 0.846154 |
153 | DU DU DU DU BRU DA DU | 0.41358 | 0.835294 |
154 | NB8 | 0.413534 | 0.841463 |
155 | PTJ | 0.413534 | 0.864198 |
156 | JB6 | 0.413534 | 0.851852 |
157 | FYA | 0.413534 | 0.871795 |
158 | 7MD | 0.413043 | 0.811765 |
159 | DLL | 0.412214 | 0.921053 |
160 | 00A | 0.412214 | 0.875 |
161 | A3D | 0.412162 | 0.934211 |
162 | XAH | 0.411765 | 0.811765 |
163 | PAX | 0.411765 | 0.91358 |
164 | NAX | 0.411348 | 0.888889 |
165 | 4UW | 0.411348 | 0.876543 |
166 | PAP | 0.41129 | 0.894737 |
167 | U3P | 0.410714 | 0.815789 |
168 | UA3 | 0.410714 | 0.815789 |
169 | CSV | 0.410448 | 0.814815 |
170 | CSQ | 0.410448 | 0.814815 |
171 | UDP UDP | 0.410256 | 0.84 |
172 | DQV | 0.410072 | 0.921053 |
173 | 3UK | 0.409091 | 0.909091 |
174 | ADN | 0.407407 | 0.766234 |
175 | XYA | 0.407407 | 0.766234 |
176 | RAB | 0.407407 | 0.766234 |
177 | CTP C C C C | 0.407143 | 0.844156 |
178 | AOC | 0.40678 | 0.792208 |
179 | H1Q | 0.406504 | 0.87013 |
180 | B5V | 0.406015 | 0.897436 |
181 | 3AM | 0.405172 | 0.868421 |
182 | B5M | 0.404412 | 0.886076 |
183 | ME8 | 0.402985 | 0.811765 |
184 | TXA | 0.402985 | 0.873418 |
185 | AFH | 0.402878 | 0.831325 |
186 | UCG | 0.402597 | 0.9 |
187 | C C | 0.401575 | 0.857143 |
188 | DND | 0.401408 | 0.922078 |
189 | NXX | 0.401408 | 0.922078 |
190 | NAE | 0.401316 | 0.910256 |
191 | 8X1 | 0.4 | 0.731183 |