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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 2 families. | |||||
1 | 1EE1 | - | DND | C21 H27 N6 O15 P2 | c1cc(c[n+].... |
2 | 1IH8 | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
3 | 2NSY | - | AMP NAD | n/a | n/a |
4 | 1NSY | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
5 | 1IFX | - | DND | C21 H27 N6 O15 P2 | c1cc(c[n+].... |
6 | 1FYD | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
7 | 1KQP | - | ADJ | C31 H44 N11 O21 P3 | c1nc(c2c(n.... |
8 | 2PZA | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
9 | 2PZ8 | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1EE1 | - | DND | C21 H27 N6 O15 P2 | c1cc(c[n+].... |
2 | 1IH8 | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
3 | 2NSY | - | AMP NAD | n/a | n/a |
4 | 1NSY | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
5 | 1IFX | - | DND | C21 H27 N6 O15 P2 | c1cc(c[n+].... |
6 | 1FYD | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
7 | 1KQP | - | ADJ | C31 H44 N11 O21 P3 | c1nc(c2c(n.... |
8 | 1WXI | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
9 | 1WXG | - | DND | C21 H27 N6 O15 P2 | c1cc(c[n+].... |
10 | 1WXH | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
11 | 1WXE | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
12 | 2PZA | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
13 | 2PZ8 | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ADJ | 1 | 1 |
2 | A2D | 0.626263 | 0.875 |
3 | TXD | 0.621849 | 0.91358 |
4 | AP0 | 0.61157 | 0.879518 |
5 | BA3 | 0.598039 | 0.875 |
6 | B4P | 0.592233 | 0.875 |
7 | AP5 | 0.592233 | 0.875 |
8 | AR6 | 0.584906 | 0.875 |
9 | APR | 0.584906 | 0.875 |
10 | TXE | 0.577236 | 0.890244 |
11 | ADP | 0.576923 | 0.851852 |
12 | HEJ | 0.575472 | 0.851852 |
13 | ATP | 0.575472 | 0.851852 |
14 | A1R | 0.575221 | 0.890244 |
15 | AN2 | 0.571429 | 0.841463 |
16 | AT4 | 0.571429 | 0.821429 |
17 | JNT | 0.570175 | 0.853659 |
18 | 5FA | 0.570093 | 0.851852 |
19 | AQP | 0.570093 | 0.851852 |
20 | NAI | 0.569106 | 0.890244 |
21 | NAX | 0.569106 | 0.903614 |
22 | ANP | 0.568807 | 0.831325 |
23 | M33 | 0.566038 | 0.841463 |
24 | AGS | 0.564815 | 0.811765 |
25 | AD9 | 0.564815 | 0.831325 |
26 | ACP | 0.560748 | 0.831325 |
27 | A22 | 0.557522 | 0.864198 |
28 | 6V0 | 0.556452 | 0.902439 |
29 | HQG | 0.548673 | 0.864198 |
30 | A3R | 0.547826 | 0.890244 |
31 | 50T | 0.546296 | 0.819277 |
32 | ACQ | 0.540541 | 0.831325 |
33 | 80F | 0.537879 | 0.872093 |
34 | ADX | 0.537037 | 0.775281 |
35 | CA0 | 0.537037 | 0.853659 |
36 | A | 0.533981 | 0.82716 |
37 | AMP | 0.533981 | 0.82716 |
38 | ABM | 0.533333 | 0.807229 |
39 | 45A | 0.533333 | 0.807229 |
40 | KG4 | 0.53211 | 0.853659 |
41 | UP5 | 0.531746 | 0.855422 |
42 | ATF | 0.530973 | 0.821429 |
43 | 8LQ | 0.530435 | 0.821429 |
44 | 3OD | 0.529412 | 0.853659 |
45 | PRX | 0.527273 | 0.831325 |
46 | 6YZ | 0.526316 | 0.831325 |
47 | OAD | 0.525424 | 0.853659 |
48 | 9X8 | 0.525424 | 0.833333 |
49 | 48N | 0.52381 | 0.813953 |
50 | 5AL | 0.522124 | 0.841463 |
51 | ADQ | 0.521368 | 0.876543 |
52 | BIS | 0.516667 | 0.823529 |
53 | SRA | 0.514286 | 0.788235 |
54 | AMP MG | 0.514286 | 0.814815 |
55 | SRP | 0.513043 | 0.843373 |
56 | 8LH | 0.513043 | 0.821429 |
57 | 8QN | 0.512821 | 0.841463 |
58 | 25L | 0.512397 | 0.864198 |
59 | 4TC | 0.511628 | 0.835294 |
60 | AP2 | 0.509259 | 0.843373 |
61 | A12 | 0.509259 | 0.843373 |
62 | AU1 | 0.509091 | 0.831325 |
63 | 8LE | 0.508772 | 0.811765 |
64 | PAJ | 0.508475 | 0.804598 |
65 | 4AD | 0.508475 | 0.855422 |
66 | PR8 | 0.508333 | 0.880952 |
67 | EAD | 0.507143 | 0.880952 |
68 | QA7 | 0.504274 | 0.811765 |
69 | TXA | 0.504132 | 0.843373 |
70 | KMQ | 0.504065 | 0.865854 |
71 | P1H | 0.503497 | 0.882353 |
72 | ADP BEF | 0.5 | 0.82716 |
73 | GA7 | 0.5 | 0.821429 |
74 | 25A | 0.5 | 0.851852 |
75 | APC | 0.5 | 0.843373 |
76 | TAT | 0.5 | 0.821429 |
77 | AFH | 0.5 | 0.825581 |
78 | ADP MG | 0.5 | 0.82716 |
79 | T99 | 0.5 | 0.821429 |
80 | OZV | 0.5 | 0.851852 |
81 | TXP | 0.496241 | 0.902439 |
82 | AMO | 0.495798 | 0.865854 |
83 | APC MG | 0.495575 | 0.829268 |
84 | ADP PO3 | 0.495575 | 0.82716 |
85 | ATP MG | 0.495575 | 0.82716 |
86 | F2R | 0.492537 | 0.829545 |
87 | G3A | 0.492063 | 0.813953 |
88 | ME8 | 0.491803 | 0.827586 |
89 | PTJ | 0.491803 | 0.793103 |
90 | 00A | 0.491667 | 0.823529 |
91 | AHX | 0.491667 | 0.813953 |
92 | T5A | 0.488722 | 0.894118 |
93 | G5P | 0.488189 | 0.813953 |
94 | 5SV | 0.487395 | 0.813953 |
95 | OOB | 0.487395 | 0.864198 |
96 | A4P | 0.484848 | 0.831461 |
97 | DND | 0.484615 | 0.865854 |
98 | DQV | 0.484375 | 0.864198 |
99 | 9SN | 0.483871 | 0.813953 |
100 | LAD | 0.483607 | 0.869048 |
101 | B5V | 0.483607 | 0.843373 |
102 | V2G | 0.482759 | 0.835294 |
103 | RBY | 0.482456 | 0.865854 |
104 | ADV | 0.482456 | 0.865854 |
105 | LAQ | 0.48062 | 0.827586 |
106 | FA5 | 0.48 | 0.865854 |
107 | NB8 | 0.479675 | 0.835294 |
108 | FYA | 0.479675 | 0.864198 |
109 | DLL | 0.479339 | 0.864198 |
110 | MAP | 0.478992 | 0.811765 |
111 | BEF ADP | 0.478261 | 0.807229 |
112 | NAJ PZO | 0.478261 | 0.835294 |
113 | COD | 0.477941 | 0.822222 |
114 | 4UU | 0.476562 | 0.901235 |
115 | 3UK | 0.47541 | 0.853659 |
116 | CNA | 0.474074 | 0.865854 |
117 | GTA | 0.472868 | 0.786517 |
118 | WAQ | 0.471545 | 0.86747 |
119 | OMR | 0.469697 | 0.83908 |
120 | B5M | 0.468254 | 0.833333 |
121 | 1ZZ | 0.467742 | 0.827586 |
122 | 0WD | 0.467153 | 0.879518 |
123 | 139 | 0.466667 | 0.880952 |
124 | DAL AMP | 0.466667 | 0.819277 |
125 | L3W | 0.466165 | 0.865854 |
126 | ANP MG | 0.466102 | 0.819277 |
127 | ALF ADP | 0.466102 | 0.770115 |
128 | VO4 ADP | 0.466102 | 0.809524 |
129 | NAJ PYZ | 0.464789 | 0.797753 |
130 | XAH | 0.464567 | 0.827586 |
131 | 9ZD | 0.46281 | 0.802326 |
132 | 9ZA | 0.46281 | 0.802326 |
133 | 4UW | 0.462121 | 0.869048 |
134 | GAP | 0.461538 | 0.831325 |
135 | 4UV | 0.460938 | 0.901235 |
136 | SON | 0.460177 | 0.843373 |
137 | TYM | 0.458647 | 0.865854 |
138 | A2R | 0.458333 | 0.864198 |
139 | B5Y | 0.456693 | 0.833333 |
140 | JB6 | 0.456 | 0.845238 |
141 | NDP | 0.455882 | 0.879518 |
142 | YLA | 0.455882 | 0.872093 |
143 | NPW | 0.455882 | 0.892857 |
144 | UPA | 0.455224 | 0.845238 |
145 | YLP | 0.454545 | 0.850575 |
146 | 7MD | 0.453846 | 0.870588 |
147 | AMP DBH | 0.449612 | 0.831325 |
148 | LMS | 0.449541 | 0.736264 |
149 | 62F | 0.448718 | 0.827586 |
150 | 2A5 | 0.448276 | 0.831325 |
151 | BTX | 0.446043 | 0.808989 |
152 | YLC | 0.444444 | 0.870588 |
153 | ATR | 0.444444 | 0.82716 |
154 | YLB | 0.444444 | 0.850575 |
155 | 7D4 | 0.443478 | 0.797619 |
156 | BT5 | 0.442857 | 0.820225 |
157 | AYB | 0.442029 | 0.840909 |
158 | NZQ | 0.442029 | 0.869048 |
159 | FDA | 0.440789 | 0.822222 |
160 | ADP BMA | 0.44 | 0.853659 |
161 | NA7 | 0.44 | 0.865854 |
162 | A3D | 0.439716 | 0.831325 |
163 | 5AS | 0.438596 | 0.734043 |
164 | IOT | 0.437956 | 0.840909 |
165 | 6FA | 0.437909 | 0.808989 |
166 | ALF ADP 3PG | 0.437037 | 0.764045 |
167 | NAD | 0.435714 | 0.841463 |
168 | ATP A | 0.434109 | 0.839506 |
169 | ATP A A A | 0.434109 | 0.839506 |
170 | 7D3 | 0.433628 | 0.797619 |
171 | LPA AMP | 0.432836 | 0.806818 |
172 | FAD | 0.432258 | 0.818182 |
173 | FAS | 0.432258 | 0.818182 |
174 | PAP | 0.432203 | 0.839506 |
175 | ARG AMP | 0.431818 | 0.797753 |
176 | ITT | 0.431034 | 0.804878 |
177 | YLY | 0.430556 | 0.840909 |
178 | JSQ | 0.428571 | 0.811765 |
179 | DG1 | 0.428571 | 0.879518 |
180 | HFD | 0.428571 | 0.811765 |
181 | AOC | 0.428571 | 0.765432 |
182 | 1DG | 0.428571 | 0.879518 |
183 | FB0 | 0.427632 | 0.815217 |
184 | D4F | 0.427586 | 0.806818 |
185 | AVV | 0.427419 | 0.835294 |
186 | AF3 ADP 3PG | 0.426471 | 0.764045 |
187 | NAQ | 0.424658 | 0.793103 |
188 | 7MC | 0.423358 | 0.850575 |
189 | SFD | 0.423077 | 0.712871 |
190 | N0B | 0.421769 | 0.894118 |
191 | 6AD | 0.421488 | 0.784091 |
192 | TSB | 0.419355 | 0.731183 |
193 | MYR AMP | 0.418605 | 0.806818 |
194 | NAE | 0.417808 | 0.811765 |
195 | XYA | 0.417476 | 0.740741 |
196 | RAB | 0.417476 | 0.740741 |
197 | ADN | 0.417476 | 0.740741 |
198 | 4TA | 0.415493 | 0.860465 |
199 | 3AT | 0.413223 | 0.829268 |
200 | MTA | 0.412844 | 0.702381 |
201 | DSZ | 0.412698 | 0.752688 |
202 | DZD | 0.412587 | 0.891566 |
203 | FNK | 0.4125 | 0.815217 |
204 | ZID | 0.412162 | 0.831325 |
205 | VMS | 0.41129 | 0.705263 |
206 | 54H | 0.41129 | 0.705263 |
207 | 52H | 0.41129 | 0.697917 |
208 | AR6 AR6 | 0.410448 | 0.851852 |
209 | FAY | 0.409938 | 0.827586 |
210 | 5N5 | 0.409524 | 0.740741 |
211 | 7D5 | 0.409091 | 0.77381 |
212 | NJP | 0.408451 | 0.833333 |
213 | EP4 | 0.407407 | 0.705882 |
214 | RFL | 0.407407 | 0.811111 |
215 | TAD | 0.407407 | 0.804598 |
216 | A5A | 0.406504 | 0.72043 |
217 | LEU LMS | 0.40625 | 0.690722 |
218 | A4D | 0.40566 | 0.719512 |
219 | 5CD | 0.40566 | 0.707317 |
220 | XNP | 0.405594 | 0.880952 |
221 | 3DH | 0.405405 | 0.702381 |
222 | NDE | 0.405229 | 0.821429 |
223 | A3P | 0.405172 | 0.82716 |
224 | A2P | 0.405172 | 0.814815 |
225 | SAI | 0.404959 | 0.75 |
226 | G5A | 0.404959 | 0.734043 |
227 | AHZ | 0.404412 | 0.766667 |
228 | DTA | 0.40367 | 0.73494 |
229 | CUU | 0.403361 | 0.829268 |
230 | H1Q | 0.403361 | 0.795181 |
231 | SSA | 0.403226 | 0.734043 |
232 | NAD IBO | 0.402878 | 0.829268 |
233 | NAD TDB | 0.402878 | 0.829268 |
234 | FA9 | 0.402367 | 0.829545 |
235 | NSS | 0.401575 | 0.734043 |
236 | NO7 | 0.4 | 0.843373 |
237 | NDC | 0.4 | 0.857143 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AMP NAD | 0.9948 |