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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1WDY | - | 25A | C30 H38 N15 O19 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1WDY | - | 25A | C30 H38 N15 O19 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 25A | 1 | 1 |
2 | 25L | 0.862069 | 0.985915 |
3 | A22 | 0.802326 | 0.985915 |
4 | AMP | 0.75641 | 0.971429 |
5 | A | 0.75641 | 0.971429 |
6 | A2P | 0.731707 | 0.957143 |
7 | A2D | 0.707317 | 0.971831 |
8 | ADP | 0.702381 | 0.971831 |
9 | AN2 | 0.694118 | 0.958333 |
10 | BA3 | 0.690476 | 0.971831 |
11 | AP5 | 0.682353 | 0.971831 |
12 | B4P | 0.682353 | 0.971831 |
13 | ATR | 0.681818 | 0.943662 |
14 | AGS | 0.681818 | 0.92 |
15 | ATP | 0.678161 | 0.971831 |
16 | HEJ | 0.678161 | 0.971831 |
17 | AT4 | 0.674419 | 0.932432 |
18 | 5FA | 0.670455 | 0.971831 |
19 | AQP | 0.670455 | 0.971831 |
20 | M33 | 0.666667 | 0.931507 |
21 | CA0 | 0.666667 | 0.918919 |
22 | ADX | 0.666667 | 0.85 |
23 | ACP | 0.659091 | 0.945205 |
24 | KG4 | 0.659091 | 0.918919 |
25 | 50T | 0.659091 | 0.931507 |
26 | A2R | 0.655914 | 0.958333 |
27 | PRX | 0.651685 | 0.893333 |
28 | AR6 | 0.651685 | 0.944444 |
29 | APR | 0.651685 | 0.944444 |
30 | ACQ | 0.648352 | 0.945205 |
31 | ABM | 0.647059 | 0.917808 |
32 | 45A | 0.647059 | 0.917808 |
33 | AD9 | 0.644444 | 0.945205 |
34 | SRA | 0.642857 | 0.918919 |
35 | AMP MG | 0.642857 | 0.929577 |
36 | HQG | 0.638298 | 0.958333 |
37 | ADQ | 0.635417 | 0.945205 |
38 | A12 | 0.632184 | 0.932432 |
39 | AP2 | 0.632184 | 0.932432 |
40 | ANP | 0.630435 | 0.945205 |
41 | 6YZ | 0.62766 | 0.945205 |
42 | UPA | 0.626168 | 0.907895 |
43 | 8LE | 0.623656 | 0.894737 |
44 | 5AL | 0.623656 | 0.931507 |
45 | NA7 | 0.622449 | 0.932432 |
46 | ATF | 0.617021 | 0.932432 |
47 | APC | 0.615385 | 0.932432 |
48 | V3L | 0.612903 | 0.971831 |
49 | TAT | 0.612903 | 0.932432 |
50 | T99 | 0.612903 | 0.932432 |
51 | AU1 | 0.611111 | 0.945205 |
52 | SRP | 0.610526 | 0.906667 |
53 | 8LH | 0.610526 | 0.906667 |
54 | PTJ | 0.61 | 0.896104 |
55 | 5SV | 0.608247 | 0.848101 |
56 | OAD | 0.606061 | 0.918919 |
57 | 9X8 | 0.606061 | 0.894737 |
58 | PAJ | 0.602041 | 0.860759 |
59 | ADP BEF | 0.6 | 0.943662 |
60 | ADP MG | 0.6 | 0.943662 |
61 | 8LQ | 0.597938 | 0.906667 |
62 | QA7 | 0.597938 | 0.894737 |
63 | BIS | 0.594059 | 0.907895 |
64 | KMQ | 0.592233 | 0.906667 |
65 | 8QN | 0.591837 | 0.931507 |
66 | OZV | 0.591837 | 0.944444 |
67 | OOB | 0.591837 | 0.958333 |
68 | RBY | 0.591398 | 0.906667 |
69 | ADV | 0.591398 | 0.906667 |
70 | 2AM | 0.588235 | 0.916667 |
71 | A1R | 0.585859 | 0.883117 |
72 | AMO | 0.585859 | 0.906667 |
73 | 4AD | 0.585859 | 0.894737 |
74 | A3R | 0.585859 | 0.883117 |
75 | DLL | 0.58 | 0.958333 |
76 | 00A | 0.58 | 0.907895 |
77 | AHX | 0.58 | 0.871795 |
78 | JNT | 0.58 | 0.918919 |
79 | 1ZZ | 0.578431 | 0.839506 |
80 | FYA | 0.578431 | 0.931507 |
81 | 3OD | 0.578431 | 0.918919 |
82 | A3P | 0.577778 | 0.971429 |
83 | LMS | 0.574713 | 0.82716 |
84 | ADP PO3 | 0.574468 | 0.943662 |
85 | ATP MG | 0.574468 | 0.943662 |
86 | APC MG | 0.574468 | 0.917808 |
87 | 3UK | 0.574257 | 0.945205 |
88 | V2G | 0.572917 | 0.896104 |
89 | LAD | 0.568627 | 0.860759 |
90 | B5V | 0.568627 | 0.932432 |
91 | PR8 | 0.568627 | 0.85 |
92 | WAQ | 0.568627 | 0.883117 |
93 | BEF ADP | 0.568421 | 0.917808 |
94 | OVE | 0.568182 | 0.88 |
95 | SON | 0.565217 | 0.932432 |
96 | ME8 | 0.563107 | 0.839506 |
97 | TXA | 0.563107 | 0.906667 |
98 | NB8 | 0.563107 | 0.871795 |
99 | XYA | 0.5625 | 0.819444 |
100 | ADN | 0.5625 | 0.819444 |
101 | RAB | 0.5625 | 0.819444 |
102 | GAP | 0.5625 | 0.893333 |
103 | ADP BMA | 0.558824 | 0.918919 |
104 | AR6 AR6 | 0.555556 | 0.944444 |
105 | 9SN | 0.552381 | 0.896104 |
106 | VO4 ADP | 0.55102 | 0.945205 |
107 | ALF ADP | 0.55102 | 0.87013 |
108 | ANP MG | 0.55102 | 0.931507 |
109 | MAP | 0.55 | 0.92 |
110 | B5M | 0.54717 | 0.92 |
111 | B5Y | 0.54717 | 0.92 |
112 | FA5 | 0.54717 | 0.932432 |
113 | OMR | 0.544643 | 0.829268 |
114 | 9ZD | 0.544554 | 0.907895 |
115 | 9ZA | 0.544554 | 0.907895 |
116 | PO4 PO4 A A A A PO4 | 0.543689 | 0.929577 |
117 | NJP | 0.543103 | 0.945946 |
118 | XAH | 0.542056 | 0.839506 |
119 | PAP | 0.541667 | 0.957747 |
120 | AFH | 0.541284 | 0.884615 |
121 | 7D5 | 0.54023 | 0.878378 |
122 | NDP | 0.53913 | 0.921053 |
123 | NPW | 0.53913 | 0.886076 |
124 | 5AS | 0.537634 | 0.77907 |
125 | 4UV | 0.537037 | 0.92 |
126 | NAI | 0.535714 | 0.907895 |
127 | NAX | 0.535714 | 0.873418 |
128 | DAL AMP | 0.534653 | 0.905405 |
129 | TXP | 0.534483 | 0.921053 |
130 | NZQ | 0.534483 | 0.909091 |
131 | G3A | 0.53211 | 0.921053 |
132 | LAQ | 0.531532 | 0.839506 |
133 | 2A5 | 0.53125 | 0.893333 |
134 | TYM | 0.530973 | 0.932432 |
135 | ODP | 0.529915 | 0.909091 |
136 | 3AM | 0.52809 | 0.929577 |
137 | AOC | 0.527473 | 0.821918 |
138 | GA7 | 0.527273 | 0.906667 |
139 | G5P | 0.527273 | 0.921053 |
140 | 4UU | 0.527273 | 0.92 |
141 | AP0 | 0.526316 | 0.896104 |
142 | XNP | 0.525424 | 0.873418 |
143 | PPS | 0.525253 | 0.85 |
144 | GTA | 0.522523 | 0.886076 |
145 | DQV | 0.522523 | 0.958333 |
146 | TXD | 0.522124 | 0.907895 |
147 | UP5 | 0.522124 | 0.92 |
148 | 6V0 | 0.522124 | 0.896104 |
149 | 4UW | 0.522124 | 0.884615 |
150 | IMO | 0.521739 | 0.929577 |
151 | JB6 | 0.518868 | 0.907895 |
152 | ATP A A A | 0.518519 | 0.957747 |
153 | ATP A | 0.518519 | 0.957747 |
154 | TXE | 0.517544 | 0.907895 |
155 | 9BG | 0.516949 | 0.896104 |
156 | 6MZ | 0.516129 | 0.930556 |
157 | 38V | 0.516129 | 0.886076 |
158 | MYR AMP | 0.514019 | 0.817073 |
159 | LQJ | 0.513761 | 0.944444 |
160 | 48N | 0.513274 | 0.871795 |
161 | YLP | 0.513274 | 0.819277 |
162 | 4TC | 0.513043 | 0.896104 |
163 | 139 | 0.512821 | 0.873418 |
164 | 5N5 | 0.511905 | 0.794521 |
165 | ITT | 0.510417 | 0.916667 |
166 | DND | 0.508772 | 0.932432 |
167 | A4D | 0.505882 | 0.794521 |
168 | 5CD | 0.505882 | 0.805556 |
169 | G5A | 0.50505 | 0.77907 |
170 | COD | 0.5 | 0.790698 |
171 | 7D3 | 0.5 | 0.88 |
172 | L3W | 0.5 | 0.906667 |
173 | 3DH | 0.5 | 0.773333 |
174 | ADJ | 0.5 | 0.851852 |
175 | YLB | 0.5 | 0.819277 |
176 | DTA | 0.5 | 0.810811 |
177 | YLC | 0.5 | 0.839506 |
178 | A4P | 0.495726 | 0.843373 |
179 | 7D4 | 0.494845 | 0.88 |
180 | MTA | 0.494382 | 0.773333 |
181 | NAP | 0.492063 | 0.972222 |
182 | 80F | 0.491803 | 0.841463 |
183 | IOT | 0.491525 | 0.831325 |
184 | GPG | 0.490741 | 0.909091 |
185 | TSB | 0.490385 | 0.797619 |
186 | A5A | 0.490196 | 0.807229 |
187 | 6C6 | 0.49 | 0.881579 |
188 | 5X8 | 0.489796 | 0.763158 |
189 | H1Q | 0.489796 | 0.90411 |
190 | EP4 | 0.488636 | 0.753247 |
191 | TAP | 0.488189 | 0.933333 |
192 | DG1 | 0.488189 | 0.921053 |
193 | 1DG | 0.488189 | 0.921053 |
194 | BTX | 0.487603 | 0.841463 |
195 | YLA | 0.487395 | 0.819277 |
196 | T5A | 0.487395 | 0.841463 |
197 | 7MD | 0.486726 | 0.839506 |
198 | ARG AMP | 0.486726 | 0.829268 |
199 | SSA | 0.485437 | 0.77907 |
200 | NA0 | 0.484375 | 0.958904 |
201 | CNA | 0.483333 | 0.932432 |
202 | AYB | 0.483333 | 0.809524 |
203 | M2T | 0.483146 | 0.734177 |
204 | APU | 0.483051 | 0.92 |
205 | TAD | 0.482456 | 0.860759 |
206 | AMP DBH | 0.482143 | 0.893333 |
207 | 52H | 0.480769 | 0.77907 |
208 | 54H | 0.480769 | 0.788235 |
209 | VMS | 0.480769 | 0.788235 |
210 | PGS | 0.479592 | 0.858974 |
211 | F2R | 0.479339 | 0.841463 |
212 | 71V | 0.479167 | 0.883117 |
213 | 8X1 | 0.47619 | 0.752809 |
214 | 5CA | 0.47619 | 0.77907 |
215 | 53H | 0.47619 | 0.77907 |
216 | 2SA | 0.475728 | 0.906667 |
217 | NMN AMP PO4 | 0.47541 | 0.894737 |
218 | NAD | 0.47541 | 0.958333 |
219 | JSQ | 0.475248 | 0.92 |
220 | HFD | 0.475248 | 0.92 |
221 | LPA AMP | 0.474138 | 0.817073 |
222 | 7L1 | 0.472868 | 0.775281 |
223 | BT5 | 0.471545 | 0.831325 |
224 | 6IA | 0.470588 | 0.8375 |
225 | 6RE | 0.468085 | 0.759494 |
226 | P5A | 0.46789 | 0.744444 |
227 | J4G | 0.46789 | 0.92 |
228 | A3D | 0.467742 | 0.945205 |
229 | LSS | 0.46729 | 0.761364 |
230 | DSZ | 0.46729 | 0.77907 |
231 | NSS | 0.46729 | 0.77907 |
232 | ALF ADP 3PG | 0.466102 | 0.8375 |
233 | 6AD | 0.466019 | 0.884615 |
234 | AHZ | 0.465517 | 0.817073 |
235 | D4F | 0.464567 | 0.8625 |
236 | N01 | 0.464 | 0.931507 |
237 | MAO | 0.463918 | 0.759036 |
238 | 0WD | 0.463415 | 0.921053 |
239 | DSH | 0.463158 | 0.725 |
240 | NVA LMS | 0.462963 | 0.752809 |
241 | N6P | 0.462963 | 0.942857 |
242 | 7MC | 0.462185 | 0.819277 |
243 | EAD | 0.461538 | 0.873418 |
244 | AAM | 0.458333 | 0.971429 |
245 | J7C | 0.458333 | 0.769231 |
246 | A3N | 0.458333 | 0.763158 |
247 | 6K6 | 0.457944 | 0.930556 |
248 | ZAS | 0.457447 | 0.766234 |
249 | M24 | 0.456693 | 0.873418 |
250 | YLY | 0.456693 | 0.809524 |
251 | AMZ | 0.456522 | 0.890411 |
252 | C2R | 0.456522 | 0.878378 |
253 | KAA | 0.454545 | 0.752809 |
254 | GSU | 0.454545 | 0.77907 |
255 | AF3 ADP 3PG | 0.453782 | 0.8375 |
256 | S4M | 0.453608 | 0.666667 |
257 | NAE | 0.453125 | 0.92 |
258 | NO7 | 0.45283 | 0.906667 |
259 | K3K | 0.451327 | 0.802632 |
260 | 9K8 | 0.45045 | 0.733333 |
261 | NAD IBO | 0.45 | 0.944444 |
262 | NAD TDB | 0.45 | 0.944444 |
263 | NAQ | 0.449612 | 0.896104 |
264 | AIR | 0.449438 | 0.901408 |
265 | DZD | 0.448 | 0.884615 |
266 | D5M | 0.447917 | 0.878378 |
267 | DA | 0.447917 | 0.878378 |
268 | P1H | 0.447761 | 0.851852 |
269 | NDE | 0.447761 | 0.958904 |
270 | AV2 | 0.447619 | 0.891892 |
271 | B1U | 0.447368 | 0.755556 |
272 | YSA | 0.447368 | 0.8 |
273 | NIA | 0.446809 | 0.822785 |
274 | O02 | 0.446602 | 0.896104 |
275 | N0B | 0.446154 | 0.841463 |
276 | ZID | 0.446154 | 0.945205 |
277 | CUU | 0.445545 | 0.944444 |
278 | LEU LMS | 0.445455 | 0.730337 |
279 | CO7 | 0.445255 | 0.784091 |
280 | AVV | 0.444444 | 0.871795 |
281 | 62F | 0.443662 | 0.8625 |
282 | 3AT | 0.442308 | 0.944444 |
283 | WSA | 0.441667 | 0.809524 |
284 | NAJ PZO | 0.440945 | 0.871795 |
285 | A7D | 0.44 | 0.776316 |
286 | GJV | 0.438776 | 0.75 |
287 | 8PZ | 0.438596 | 0.8 |
288 | RGT | 0.438596 | 0.932432 |
289 | NWW | 0.438202 | 0.736111 |
290 | AAT | 0.438095 | 0.707317 |
291 | A5D | 0.436893 | 0.810811 |
292 | ARU | 0.436364 | 0.8375 |
293 | 7RP | 0.43299 | 0.928571 |
294 | A3G | 0.43299 | 0.776316 |
295 | SAH | 0.432692 | 0.74359 |
296 | ENP | 0.432432 | 0.893333 |
297 | 4YB | 0.432203 | 0.781609 |
298 | DAT | 0.431373 | 0.88 |
299 | SFG | 0.431373 | 0.75 |
300 | V1N | 0.431034 | 0.944444 |
301 | NDC | 0.430657 | 0.896104 |
302 | NDP DTT | 0.430657 | 0.819277 |
303 | 5AD | 0.430233 | 0.746479 |
304 | RMB | 0.428571 | 0.873239 |
305 | 7RA | 0.428571 | 0.957747 |
306 | 4TA | 0.428571 | 0.829268 |
307 | DTP | 0.428571 | 0.88 |
308 | AMP NAD | 0.428571 | 0.931507 |
309 | NAJ PYZ | 0.427481 | 0.829268 |
310 | 7DD | 0.425743 | 0.957747 |
311 | 7D7 | 0.425287 | 0.743243 |
312 | K2R | 0.424779 | 0.905405 |
313 | 8BR | 0.424242 | 0.906667 |
314 | SA8 | 0.423077 | 0.707317 |
315 | PUA | 0.423077 | 0.884615 |
316 | GGZ | 0.422018 | 0.802469 |
317 | MHZ | 0.421569 | 0.697674 |
318 | 6FA | 0.421429 | 0.841463 |
319 | FB0 | 0.42029 | 0.784091 |
320 | SAI | 0.419048 | 0.734177 |
321 | K3E | 0.418803 | 0.792208 |
322 | GEK | 0.418182 | 0.7375 |
323 | SMM | 0.416667 | 0.686047 |
324 | S7M | 0.416667 | 0.690476 |
325 | FAD | 0.415493 | 0.851852 |
326 | SFD | 0.415493 | 0.734043 |
327 | FAS | 0.415493 | 0.851852 |
328 | ETB | 0.415385 | 0.811765 |
329 | DCA | 0.415385 | 0.802326 |
330 | 7C5 | 0.415254 | 0.842105 |
331 | SAM | 0.415094 | 0.690476 |
332 | FDA | 0.414286 | 0.833333 |
333 | JLN | 0.414141 | 0.864865 |
334 | FAI | 0.414141 | 0.890411 |
335 | 7DT | 0.413462 | 0.957747 |
336 | KOY | 0.413223 | 0.826667 |
337 | A3S | 0.411765 | 0.786667 |
338 | EEM | 0.411215 | 0.690476 |
339 | Y3J | 0.411111 | 0.726027 |
340 | K2W | 0.410256 | 0.740741 |
341 | 0T1 | 0.409091 | 0.802326 |
342 | COA | 0.409091 | 0.802326 |
343 | TM1 | 0.408696 | 0.795181 |
344 | 101 | 0.408163 | 0.878378 |
345 | 5GP | 0.407767 | 0.906667 |
346 | G | 0.407767 | 0.906667 |
347 | A6D | 0.40708 | 0.743902 |
348 | 649 | 0.406504 | 0.764045 |
349 | QXP | 0.405405 | 0.785714 |
350 | K38 | 0.405172 | 0.779221 |
351 | FNK | 0.40411 | 0.804598 |
352 | NEC | 0.40404 | 0.723684 |
353 | N5O | 0.40404 | 0.74026 |
354 | A3T | 0.403846 | 0.797297 |
355 | V47 | 0.40367 | 0.808219 |
356 | 8Q2 | 0.403226 | 0.772727 |
357 | DDS | 0.401869 | 0.853333 |
358 | 0UM | 0.401786 | 0.698795 |
359 | FAY | 0.401361 | 0.8625 |
360 | COS | 0.4 | 0.784091 |
361 | AMX | 0.4 | 0.811765 |
362 | Z5A | 0.4 | 0.8 |
363 | P2P | 0.4 | 0.902778 |
364 | CAO | 0.4 | 0.775281 |
365 | ANZ | 0.4 | 0.822785 |
366 | 30N | 0.4 | 0.734043 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1wdy.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |