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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 1 families. | |||||
1 | 5OE6 | - | 9SN | C17 H18 F N6 O8 P | c1cc(c(c(c.... |
2 | 5OE4 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
3 | 5OE5 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
4 | 5OE3 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5OE6 | - | 9SN | C17 H18 F N6 O8 P | c1cc(c(c(c.... |
2 | 5OE4 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
3 | 5OE5 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
4 | 5OE3 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 9SN | 1 | 1 |
2 | 3UK | 0.729167 | 0.947368 |
3 | B5M | 0.727273 | 0.923077 |
4 | B5V | 0.704082 | 0.935065 |
5 | OOB | 0.697917 | 0.934211 |
6 | CA0 | 0.688889 | 0.897436 |
7 | KG4 | 0.681319 | 0.897436 |
8 | 00A | 0.666667 | 0.961039 |
9 | 8LE | 0.663158 | 0.875 |
10 | A2D | 0.651685 | 0.896104 |
11 | 5AL | 0.645833 | 0.909091 |
12 | B5Y | 0.644231 | 0.923077 |
13 | BA3 | 0.637363 | 0.896104 |
14 | 8LQ | 0.636364 | 0.886076 |
15 | DLL | 0.633663 | 0.934211 |
16 | SRP | 0.632653 | 0.886076 |
17 | 8LH | 0.632653 | 0.886076 |
18 | B4P | 0.630435 | 0.896104 |
19 | AP5 | 0.630435 | 0.896104 |
20 | ADP | 0.630435 | 0.871795 |
21 | AT4 | 0.623656 | 0.839506 |
22 | AN2 | 0.623656 | 0.860759 |
23 | PRX | 0.621053 | 0.82716 |
24 | QA7 | 0.62 | 0.875 |
25 | AMP | 0.617977 | 0.87013 |
26 | A | 0.617977 | 0.87013 |
27 | ADX | 0.617021 | 0.790698 |
28 | M33 | 0.617021 | 0.860759 |
29 | AD9 | 0.614583 | 0.85 |
30 | 8QN | 0.613861 | 0.909091 |
31 | M24 | 0.613445 | 0.974359 |
32 | 50T | 0.610526 | 0.8375 |
33 | ATP | 0.610526 | 0.871795 |
34 | ACP | 0.610526 | 0.85 |
35 | HEJ | 0.610526 | 0.871795 |
36 | PAJ | 0.607843 | 0.843373 |
37 | 4AD | 0.607843 | 0.875 |
38 | AMO | 0.607843 | 0.886076 |
39 | ATF | 0.606061 | 0.910256 |
40 | PR8 | 0.605769 | 0.833333 |
41 | WAQ | 0.605769 | 0.864198 |
42 | LAD | 0.605769 | 0.843373 |
43 | APR | 0.604167 | 0.896104 |
44 | 5FA | 0.604167 | 0.871795 |
45 | AR6 | 0.604167 | 0.896104 |
46 | AQP | 0.604167 | 0.871795 |
47 | ME8 | 0.6 | 0.823529 |
48 | 1ZZ | 0.6 | 0.823529 |
49 | FA5 | 0.598131 | 0.910256 |
50 | AGS | 0.597938 | 0.829268 |
51 | 45A | 0.597826 | 0.848101 |
52 | ABM | 0.597826 | 0.848101 |
53 | AMP MG | 0.593407 | 0.857143 |
54 | GAP | 0.585859 | 0.873418 |
55 | ANP | 0.585859 | 0.85 |
56 | ACQ | 0.585859 | 0.85 |
57 | A12 | 0.585106 | 0.839506 |
58 | AP2 | 0.585106 | 0.839506 |
59 | TXA | 0.584906 | 0.886076 |
60 | PTJ | 0.584906 | 0.853659 |
61 | NB8 | 0.584906 | 0.853659 |
62 | 4UU | 0.576577 | 0.898734 |
63 | SRA | 0.576087 | 0.82716 |
64 | ADP MG | 0.572917 | 0.87013 |
65 | ADP BEF | 0.572917 | 0.87013 |
66 | A22 | 0.572816 | 0.884615 |
67 | AHX | 0.571429 | 0.831325 |
68 | DQV | 0.571429 | 0.909091 |
69 | FYA | 0.570093 | 0.860759 |
70 | 6YZ | 0.568627 | 0.85 |
71 | 5SV | 0.567308 | 0.788235 |
72 | AU1 | 0.56701 | 0.85 |
73 | LAQ | 0.566372 | 0.823529 |
74 | 9X8 | 0.566038 | 0.851852 |
75 | OAD | 0.566038 | 0.897436 |
76 | V2G | 0.564356 | 0.853659 |
77 | HQG | 0.563107 | 0.884615 |
78 | ADQ | 0.561905 | 0.897436 |
79 | A1R | 0.561905 | 0.819277 |
80 | YLP | 0.561404 | 0.804598 |
81 | 4UV | 0.558559 | 0.898734 |
82 | DAL AMP | 0.557692 | 0.884615 |
83 | SON | 0.556701 | 0.886076 |
84 | APC | 0.555556 | 0.839506 |
85 | 3OD | 0.555556 | 0.897436 |
86 | TAT | 0.554455 | 0.839506 |
87 | T99 | 0.554455 | 0.839506 |
88 | OZV | 0.552381 | 0.871795 |
89 | 25A | 0.552381 | 0.896104 |
90 | TYM | 0.551724 | 0.910256 |
91 | IOT | 0.550847 | 0.795455 |
92 | RBY | 0.55 | 0.8625 |
93 | ADV | 0.55 | 0.8625 |
94 | ATP MG | 0.55 | 0.87013 |
95 | ADP PO3 | 0.55 | 0.87013 |
96 | XAH | 0.54955 | 0.802326 |
97 | A3R | 0.54717 | 0.819277 |
98 | YLC | 0.547009 | 0.823529 |
99 | YLB | 0.547009 | 0.804598 |
100 | BEF ADP | 0.544554 | 0.848101 |
101 | ALF ADP | 0.543689 | 0.875 |
102 | 6V0 | 0.543103 | 0.853659 |
103 | DND | 0.543103 | 0.910256 |
104 | NAX | 0.543103 | 0.833333 |
105 | JNT | 0.542056 | 0.85 |
106 | BIS | 0.541284 | 0.8875 |
107 | 9ZD | 0.537736 | 0.864198 |
108 | 9ZA | 0.537736 | 0.864198 |
109 | APC MG | 0.534653 | 0.848101 |
110 | YLA | 0.533333 | 0.804598 |
111 | TXD | 0.529915 | 0.864198 |
112 | 4UW | 0.529915 | 0.865854 |
113 | AYB | 0.528926 | 0.795455 |
114 | VO4 ADP | 0.528846 | 0.85 |
115 | ANP MG | 0.528846 | 0.860759 |
116 | 9K8 | 0.527273 | 0.8 |
117 | G3A | 0.526316 | 0.876543 |
118 | TXE | 0.525424 | 0.864198 |
119 | 25L | 0.522523 | 0.884615 |
120 | MYR AMP | 0.522523 | 0.802326 |
121 | G5P | 0.521739 | 0.876543 |
122 | ARG AMP | 0.521739 | 0.793103 |
123 | NAD | 0.520325 | 0.909091 |
124 | D4F | 0.519685 | 0.845238 |
125 | AMP DBH | 0.517544 | 0.873418 |
126 | NAI | 0.516949 | 0.864198 |
127 | CNA | 0.516393 | 0.886076 |
128 | LMS | 0.515789 | 0.770115 |
129 | MAP | 0.514019 | 0.829268 |
130 | KMQ | 0.513274 | 0.8625 |
131 | A3D | 0.512 | 0.897436 |
132 | ADP BMA | 0.509091 | 0.873418 |
133 | AFH | 0.508621 | 0.936709 |
134 | 48N | 0.508475 | 0.853659 |
135 | AOC | 0.505155 | 0.759494 |
136 | GTA | 0.504274 | 0.845238 |
137 | BT5 | 0.504 | 0.795455 |
138 | DZD | 0.504 | 0.843373 |
139 | F2R | 0.5 | 0.804598 |
140 | 5AS | 0.5 | 0.728261 |
141 | YLY | 0.5 | 0.795455 |
142 | OMR | 0.5 | 0.813953 |
143 | G5A | 0.5 | 0.747253 |
144 | NAJ PZO | 0.496063 | 0.831325 |
145 | AMP NAD | 0.496 | 0.909091 |
146 | T5A | 0.495935 | 0.804598 |
147 | NAD TDB | 0.495868 | 0.896104 |
148 | NAD IBO | 0.495868 | 0.896104 |
149 | L3W | 0.495868 | 0.8625 |
150 | LPA AMP | 0.495798 | 0.802326 |
151 | GA7 | 0.495726 | 0.839506 |
152 | SSA | 0.495327 | 0.747253 |
153 | UP5 | 0.491667 | 0.875 |
154 | 52H | 0.490741 | 0.747253 |
155 | N0B | 0.48855 | 0.825581 |
156 | 80F | 0.488189 | 0.825581 |
157 | ALF ADP 3PG | 0.487603 | 0.888889 |
158 | AHZ | 0.487395 | 0.823529 |
159 | ATP A A A | 0.486957 | 0.883117 |
160 | ATP A | 0.486957 | 0.883117 |
161 | JB6 | 0.486726 | 0.841463 |
162 | NVA LMS | 0.486486 | 0.723404 |
163 | 53H | 0.486239 | 0.747253 |
164 | TSB | 0.486239 | 0.764045 |
165 | A5A | 0.485981 | 0.772727 |
166 | ADJ | 0.483871 | 0.813953 |
167 | 4TC | 0.483607 | 0.853659 |
168 | UPA | 0.483607 | 0.864198 |
169 | AP0 | 0.483607 | 0.831325 |
170 | 5CD | 0.483516 | 0.766234 |
171 | ADN | 0.483146 | 0.75641 |
172 | RAB | 0.483146 | 0.75641 |
173 | XYA | 0.483146 | 0.75641 |
174 | 7MD | 0.483051 | 0.823529 |
175 | B1U | 0.482759 | 0.744681 |
176 | 2A5 | 0.480769 | 0.804878 |
177 | TAD | 0.478992 | 0.821429 |
178 | DSZ | 0.477477 | 0.766667 |
179 | ZID | 0.477273 | 0.922078 |
180 | 54H | 0.477064 | 0.755556 |
181 | VMS | 0.477064 | 0.755556 |
182 | ATR | 0.47619 | 0.846154 |
183 | PAP | 0.47619 | 0.858974 |
184 | AF3 ADP 3PG | 0.47541 | 0.888889 |
185 | A3P | 0.475248 | 0.87013 |
186 | NAE | 0.473282 | 0.898734 |
187 | 8X1 | 0.472727 | 0.723404 |
188 | 5CA | 0.472727 | 0.747253 |
189 | 5N5 | 0.472527 | 0.734177 |
190 | COD | 0.472441 | 0.758242 |
191 | YSA | 0.470085 | 0.766667 |
192 | NAQ | 0.469697 | 0.876543 |
193 | QXP | 0.468468 | 0.752809 |
194 | A4P | 0.467742 | 0.786517 |
195 | A4D | 0.467391 | 0.734177 |
196 | KAA | 0.464912 | 0.723404 |
197 | P5A | 0.464912 | 0.715789 |
198 | GSU | 0.464912 | 0.766667 |
199 | 6RE | 0.464646 | 0.686047 |
200 | NSS | 0.464286 | 0.747253 |
201 | LSS | 0.464286 | 0.731183 |
202 | A2R | 0.463636 | 0.884615 |
203 | DTA | 0.463158 | 0.75 |
204 | PPS | 0.462963 | 0.770115 |
205 | ITT | 0.461538 | 0.822785 |
206 | 8PZ | 0.461538 | 0.766667 |
207 | BTX | 0.460938 | 0.784091 |
208 | A2P | 0.460784 | 0.857143 |
209 | 139 | 0.460317 | 0.833333 |
210 | EAD | 0.459259 | 0.833333 |
211 | 3AM | 0.459184 | 0.833333 |
212 | KOY | 0.459016 | 0.833333 |
213 | AR6 AR6 | 0.458333 | 0.896104 |
214 | JSQ | 0.457944 | 0.923077 |
215 | HFD | 0.457944 | 0.923077 |
216 | H1Q | 0.457143 | 0.835443 |
217 | NDE | 0.456522 | 0.910256 |
218 | QXG | 0.45614 | 0.744444 |
219 | J7C | 0.455446 | 0.694118 |
220 | SMM | 0.454545 | 0.677778 |
221 | 4YB | 0.454545 | 0.788889 |
222 | V47 | 0.454545 | 0.792208 |
223 | 7D5 | 0.453608 | 0.790123 |
224 | EP4 | 0.452632 | 0.698795 |
225 | 7D3 | 0.45098 | 0.792683 |
226 | 6AD | 0.449541 | 0.8 |
227 | 3DH | 0.44898 | 0.716049 |
228 | SA8 | 0.448598 | 0.697674 |
229 | 7MC | 0.448 | 0.804598 |
230 | M2T | 0.447917 | 0.682353 |
231 | NAJ PYZ | 0.447761 | 0.857143 |
232 | 7D4 | 0.447619 | 0.792683 |
233 | P1H | 0.446043 | 0.813953 |
234 | LEU LMS | 0.443478 | 0.72043 |
235 | 5X8 | 0.443396 | 0.75 |
236 | SFG | 0.443396 | 0.7375 |
237 | MTA | 0.443299 | 0.716049 |
238 | WSA | 0.44 | 0.775281 |
239 | FB0 | 0.439716 | 0.734043 |
240 | NDC | 0.439716 | 0.876543 |
241 | R2V | 0.439655 | 0.733333 |
242 | 4TA | 0.438462 | 0.793103 |
243 | GJV | 0.436893 | 0.678161 |
244 | EEM | 0.436364 | 0.681818 |
245 | NWW | 0.43617 | 0.701299 |
246 | A5D | 0.435185 | 0.75 |
247 | ARU | 0.434783 | 0.8 |
248 | 2AM | 0.434343 | 0.822785 |
249 | MAO | 0.432692 | 0.707865 |
250 | FNK | 0.432432 | 0.771739 |
251 | SAI | 0.431193 | 0.722892 |
252 | SAH | 0.431193 | 0.731707 |
253 | NA7 | 0.431034 | 0.839506 |
254 | NJP | 0.430769 | 0.875 |
255 | DAT | 0.429907 | 0.792683 |
256 | CUU | 0.429907 | 0.848101 |
257 | AVV | 0.429825 | 0.9 |
258 | 649 | 0.428571 | 0.734043 |
259 | 0WD | 0.427481 | 0.853659 |
260 | J4G | 0.42735 | 0.875 |
261 | SAM | 0.427273 | 0.681818 |
262 | DTP | 0.427273 | 0.792683 |
263 | 3AT | 0.427273 | 0.848101 |
264 | V3L | 0.427273 | 0.896104 |
265 | IMO | 0.427184 | 0.833333 |
266 | A3N | 0.427184 | 0.707317 |
267 | NPW | 0.426357 | 0.823529 |
268 | 7C5 | 0.42623 | 0.825 |
269 | ZAS | 0.425743 | 0.710843 |
270 | 8Q2 | 0.425197 | 0.741935 |
271 | 9JJ | 0.424837 | 0.91358 |
272 | 38V | 0.423358 | 0.845238 |
273 | NAP | 0.423358 | 0.897436 |
274 | 6MZ | 0.423077 | 0.835443 |
275 | S4M | 0.423077 | 0.623656 |
276 | MHZ | 0.420561 | 0.652174 |
277 | KB1 | 0.420168 | 0.792683 |
278 | AV2 | 0.419643 | 0.802469 |
279 | A6D | 0.418803 | 0.693182 |
280 | O02 | 0.418182 | 0.809524 |
281 | A3G | 0.417476 | 0.740741 |
282 | DSH | 0.417476 | 0.674419 |
283 | NA0 | 0.417266 | 0.886076 |
284 | NHD | 0.416667 | 0.884615 |
285 | Q2P | 0.416667 | 0.744186 |
286 | S7M | 0.415929 | 0.681818 |
287 | F2N | 0.414013 | 0.78022 |
288 | 0UM | 0.413793 | 0.689655 |
289 | K3K | 0.413223 | 0.765432 |
290 | OZP | 0.412698 | 0.738095 |
291 | NO7 | 0.412281 | 0.817073 |
292 | NZQ | 0.412214 | 0.843373 |
293 | TXP | 0.412214 | 0.853659 |
294 | K2R | 0.411765 | 0.860759 |
295 | ANZ | 0.41129 | 0.851852 |
296 | A7D | 0.411215 | 0.719512 |
297 | 6FA | 0.410959 | 0.825581 |
298 | NFD | 0.410448 | 0.961039 |
299 | TAP | 0.410072 | 0.841463 |
300 | C2R | 0.41 | 0.858974 |
301 | AMZ | 0.41 | 0.846154 |
302 | LQJ | 0.409836 | 0.871795 |
303 | NAD BBN | 0.409396 | 0.825581 |
304 | NVA 2AD | 0.409091 | 0.705882 |
305 | ODP | 0.409091 | 0.843373 |
306 | OVE | 0.407767 | 0.792683 |
307 | SLU | 0.407407 | 0.758242 |
308 | 2SA | 0.40708 | 0.8625 |
309 | K15 | 0.40678 | 0.674157 |
310 | K3E | 0.406504 | 0.756098 |
311 | V1N | 0.406504 | 0.896104 |
312 | NWQ | 0.405941 | 0.683544 |
313 | GEK | 0.405172 | 0.72619 |
314 | NDP | 0.40458 | 0.853659 |
315 | FDA | 0.40411 | 0.797753 |
316 | NAD CJ3 | 0.403974 | 0.797753 |
317 | 62F | 0.403974 | 0.823529 |
318 | D5M | 0.403846 | 0.790123 |
319 | NEC | 0.403846 | 0.691358 |
320 | DA | 0.403846 | 0.790123 |
321 | N5O | 0.403846 | 0.707317 |
322 | 6IA | 0.401786 | 0.758621 |
323 | Z5A | 0.4 | 0.766667 |
324 | APU | 0.4 | 0.851852 |
No: | Ligand | Similarity coefficient |
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