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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 1WLE | - | SRP | C13 H19 N6 O9 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 1WLE | - | SRP | C13 H19 N6 O9 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SRP | 1 | 1 |
2 | AMO | 0.833333 | 0.972973 |
3 | 5AL | 0.82716 | 0.945946 |
4 | 8LH | 0.807229 | 0.946667 |
5 | LAD | 0.804598 | 0.948052 |
6 | ME8 | 0.795455 | 0.9 |
7 | NB8 | 0.795455 | 0.935065 |
8 | 8QN | 0.77907 | 0.945946 |
9 | CA0 | 0.775 | 0.933333 |
10 | YAP | 0.769231 | 0.96 |
11 | FA5 | 0.769231 | 0.972973 |
12 | KG4 | 0.765432 | 0.933333 |
13 | 4AD | 0.75 | 0.96 |
14 | PAJ | 0.75 | 0.898734 |
15 | A2D | 0.734177 | 0.906667 |
16 | 8LQ | 0.727273 | 0.946667 |
17 | AHX | 0.722222 | 0.935065 |
18 | 8LE | 0.72093 | 0.909091 |
19 | AN2 | 0.719512 | 0.894737 |
20 | PTJ | 0.717391 | 0.886076 |
21 | BA3 | 0.716049 | 0.906667 |
22 | YLP | 0.714286 | 0.901235 |
23 | B4P | 0.707317 | 0.906667 |
24 | ADP | 0.707317 | 0.906667 |
25 | AP5 | 0.707317 | 0.906667 |
26 | DLL | 0.703297 | 0.945946 |
27 | 50T | 0.702381 | 0.87013 |
28 | TYM | 0.7 | 0.972973 |
29 | AT4 | 0.698795 | 0.871795 |
30 | A | 0.696203 | 0.905405 |
31 | AMP | 0.696203 | 0.905405 |
32 | YLB | 0.693069 | 0.901235 |
33 | YLC | 0.693069 | 0.924051 |
34 | ADX | 0.690476 | 0.819277 |
35 | M33 | 0.690476 | 0.894737 |
36 | ACP | 0.682353 | 0.907895 |
37 | ATP | 0.682353 | 0.906667 |
38 | HEJ | 0.682353 | 0.906667 |
39 | OOB | 0.681319 | 0.945946 |
40 | 5FA | 0.674419 | 0.906667 |
41 | APR | 0.674419 | 0.932432 |
42 | AR6 | 0.674419 | 0.932432 |
43 | AQP | 0.674419 | 0.906667 |
44 | PRX | 0.674419 | 0.858974 |
45 | YLA | 0.673077 | 0.901235 |
46 | ABM | 0.670732 | 0.881579 |
47 | 45A | 0.670732 | 0.881579 |
48 | ANP | 0.670455 | 0.883117 |
49 | WAQ | 0.670213 | 0.922078 |
50 | AD9 | 0.666667 | 0.883117 |
51 | SAP | 0.666667 | 0.860759 |
52 | AGS | 0.666667 | 0.860759 |
53 | 00A | 0.666667 | 0.897436 |
54 | AYB | 0.666667 | 0.890244 |
55 | TXA | 0.663158 | 0.921053 |
56 | 3UK | 0.659574 | 0.933333 |
57 | AP2 | 0.654762 | 0.896104 |
58 | A12 | 0.654762 | 0.896104 |
59 | B5V | 0.652632 | 0.921053 |
60 | PR8 | 0.652632 | 0.935897 |
61 | ACQ | 0.651685 | 0.907895 |
62 | AU1 | 0.651163 | 0.883117 |
63 | SRA | 0.646341 | 0.858974 |
64 | 1ZZ | 0.645833 | 0.853659 |
65 | A1R | 0.638298 | 0.922078 |
66 | ATF | 0.637363 | 0.871795 |
67 | XAH | 0.636364 | 0.9 |
68 | DAL AMP | 0.634409 | 0.92 |
69 | GAP | 0.633333 | 0.933333 |
70 | 9SN | 0.632653 | 0.886076 |
71 | 6YZ | 0.630435 | 0.907895 |
72 | 3OD | 0.628866 | 0.933333 |
73 | 9ZD | 0.62766 | 0.897436 |
74 | 9ZA | 0.62766 | 0.897436 |
75 | B5M | 0.626263 | 0.909091 |
76 | B5Y | 0.626263 | 0.909091 |
77 | OAD | 0.625 | 0.933333 |
78 | YLY | 0.625 | 0.890244 |
79 | HQG | 0.623656 | 0.92 |
80 | SON | 0.62069 | 0.946667 |
81 | ADP MG | 0.62069 | 0.905405 |
82 | APC | 0.617977 | 0.896104 |
83 | A22 | 0.617021 | 0.894737 |
84 | T99 | 0.615385 | 0.871795 |
85 | TAT | 0.615385 | 0.871795 |
86 | 4UV | 0.613861 | 0.909091 |
87 | FYA | 0.612245 | 0.92 |
88 | ADV | 0.611111 | 0.921053 |
89 | RBY | 0.611111 | 0.921053 |
90 | 25A | 0.610526 | 0.906667 |
91 | OZV | 0.610526 | 0.906667 |
92 | 5SV | 0.610526 | 0.817073 |
93 | N0B | 0.608696 | 0.901235 |
94 | 9X8 | 0.608247 | 0.884615 |
95 | A3R | 0.604167 | 0.922078 |
96 | ADQ | 0.604167 | 0.933333 |
97 | 4UU | 0.601942 | 0.909091 |
98 | SSA | 0.595745 | 0.835294 |
99 | APC MG | 0.593407 | 0.881579 |
100 | ATP MG | 0.593407 | 0.905405 |
101 | ADP PO3 | 0.593407 | 0.905405 |
102 | LAQ | 0.590476 | 0.853659 |
103 | GA7 | 0.586538 | 0.896104 |
104 | MAP | 0.583333 | 0.860759 |
105 | DQV | 0.580952 | 0.92 |
106 | BIS | 0.58 | 0.85 |
107 | NAI | 0.579439 | 0.873418 |
108 | 4UW | 0.579439 | 0.875 |
109 | ADP VO4 | 0.578947 | 0.894737 |
110 | VO4 ADP | 0.578947 | 0.894737 |
111 | LMS | 0.576471 | 0.797619 |
112 | 25L | 0.574257 | 0.894737 |
113 | IOT | 0.572727 | 0.890244 |
114 | ARG AMP | 0.571429 | 0.888889 |
115 | AFH | 0.571429 | 0.898734 |
116 | 48N | 0.570093 | 0.910256 |
117 | ADP ALF | 0.568421 | 0.8375 |
118 | ALF ADP | 0.568421 | 0.8375 |
119 | TYR AMP | 0.567308 | 0.934211 |
120 | 5CA | 0.56701 | 0.835294 |
121 | TXD | 0.564815 | 0.873418 |
122 | NAX | 0.564815 | 0.8875 |
123 | G3A | 0.561905 | 0.8625 |
124 | TXE | 0.559633 | 0.873418 |
125 | MYR AMP | 0.558824 | 0.831325 |
126 | F2R | 0.557522 | 0.901235 |
127 | G5P | 0.556604 | 0.8625 |
128 | 7MD | 0.556604 | 0.924051 |
129 | 80F | 0.556522 | 0.878049 |
130 | A5A | 0.552083 | 0.8 |
131 | TSB | 0.55102 | 0.790698 |
132 | 53H | 0.55102 | 0.772727 |
133 | NXX | 0.550459 | 0.921053 |
134 | 6V0 | 0.550459 | 0.8625 |
135 | DND | 0.550459 | 0.921053 |
136 | OMR | 0.545455 | 0.843373 |
137 | AOC | 0.545455 | 0.789474 |
138 | XYA | 0.544304 | 0.810811 |
139 | ADN | 0.544304 | 0.810811 |
140 | RAB | 0.544304 | 0.810811 |
141 | 5CD | 0.54321 | 0.773333 |
142 | 54H | 0.540816 | 0.781609 |
143 | VMS | 0.540816 | 0.781609 |
144 | AP0 | 0.540541 | 0.839506 |
145 | DSZ | 0.54 | 0.835294 |
146 | LSS | 0.54 | 0.795455 |
147 | COD | 0.53913 | 0.847059 |
148 | 5AS | 0.538462 | 0.772727 |
149 | 5X8 | 0.537634 | 0.826667 |
150 | GTA | 0.537037 | 0.831325 |
151 | G5A | 0.536842 | 0.835294 |
152 | DTA | 0.535714 | 0.75641 |
153 | BT5 | 0.534483 | 0.86747 |
154 | JB6 | 0.533981 | 0.873418 |
155 | 2A5 | 0.531915 | 0.883117 |
156 | 5N5 | 0.530864 | 0.786667 |
157 | M24 | 0.529412 | 0.864198 |
158 | ADP BMA | 0.529412 | 0.907895 |
159 | PAP | 0.526316 | 0.893333 |
160 | 52H | 0.525253 | 0.772727 |
161 | A4D | 0.52439 | 0.786667 |
162 | GSU | 0.524272 | 0.835294 |
163 | A A | 0.524272 | 0.881579 |
164 | KAA | 0.524272 | 0.806818 |
165 | AMP DBH | 0.523364 | 0.858974 |
166 | 7D5 | 0.523256 | 0.844156 |
167 | TAD | 0.522936 | 0.875 |
168 | UP5 | 0.522523 | 0.884615 |
169 | CNA | 0.521739 | 0.921053 |
170 | H1Q | 0.521277 | 0.868421 |
171 | SFG | 0.521277 | 0.813333 |
172 | AF3 ADP 3PG | 0.517857 | 0.875 |
173 | 7D3 | 0.516484 | 0.846154 |
174 | A3S | 0.516129 | 0.851351 |
175 | SMM | 0.515152 | 0.741176 |
176 | YSA | 0.514019 | 0.813953 |
177 | LPA AMP | 0.513514 | 0.831325 |
178 | 4TC | 0.513274 | 0.886076 |
179 | UPA | 0.513274 | 0.897436 |
180 | T5A | 0.513043 | 0.855422 |
181 | ADJ | 0.513043 | 0.843373 |
182 | NAD | 0.512821 | 0.92 |
183 | A3P | 0.51087 | 0.905405 |
184 | 7D4 | 0.510638 | 0.846154 |
185 | ATR | 0.510417 | 0.88 |
186 | SA8 | 0.510417 | 0.765432 |
187 | PPS | 0.510204 | 0.797619 |
188 | EEM | 0.510204 | 0.746988 |
189 | NSS | 0.509804 | 0.813953 |
190 | A4P | 0.508772 | 0.835294 |
191 | EP4 | 0.505882 | 0.725 |
192 | SAI | 0.505155 | 0.794872 |
193 | SAH | 0.505155 | 0.805195 |
194 | 8X1 | 0.504951 | 0.806818 |
195 | NVA LMS | 0.504854 | 0.786517 |
196 | ATP A A A | 0.504673 | 0.893333 |
197 | ATP A | 0.504673 | 0.893333 |
198 | AHZ | 0.504505 | 0.831325 |
199 | A3D | 0.504202 | 0.907895 |
200 | M2T | 0.5 | 0.707317 |
201 | SAM | 0.5 | 0.746988 |
202 | 6RE | 0.5 | 0.775 |
203 | 7MC | 0.5 | 0.901235 |
204 | 139 | 0.5 | 0.8875 |
205 | LEU LMS | 0.5 | 0.786517 |
206 | 3DH | 0.5 | 0.74359 |
207 | NAQ | 0.495935 | 0.8625 |
208 | DZD | 0.495798 | 0.875 |
209 | J4G | 0.495238 | 0.96 |
210 | P5A | 0.495238 | 0.797753 |
211 | A2R | 0.49505 | 0.92 |
212 | ITT | 0.494737 | 0.855263 |
213 | A2P | 0.494624 | 0.891892 |
214 | 3AM | 0.494382 | 0.891892 |
215 | MTA | 0.494253 | 0.74359 |
216 | 8PZ | 0.490741 | 0.813953 |
217 | 9K8 | 0.490566 | 0.728261 |
218 | J7C | 0.48913 | 0.78481 |
219 | NAE | 0.487805 | 0.884615 |
220 | BTX | 0.487395 | 0.855422 |
221 | AR6 AR6 | 0.486486 | 0.906667 |
222 | S7M | 0.485149 | 0.746988 |
223 | EAD | 0.484127 | 0.864198 |
224 | NDE | 0.48062 | 0.896104 |
225 | ZID | 0.48 | 0.907895 |
226 | 6AD | 0.48 | 0.829268 |
227 | WSA | 0.478261 | 0.823529 |
228 | ARU | 0.47619 | 0.785714 |
229 | NAJ PZO | 0.47541 | 0.839506 |
230 | 0WD | 0.475 | 0.8625 |
231 | AMP NAD | 0.475 | 0.92 |
232 | HFD | 0.474747 | 0.860759 |
233 | JSQ | 0.474747 | 0.860759 |
234 | A3N | 0.473118 | 0.75641 |
235 | IMO | 0.473118 | 0.866667 |
236 | ZAS | 0.472527 | 0.759494 |
237 | NAJ PYZ | 0.472 | 0.8 |
238 | GEK | 0.471154 | 0.797468 |
239 | V3L | 0.47 | 0.932432 |
240 | P1H | 0.469231 | 0.843373 |
241 | A7D | 0.46875 | 0.792208 |
242 | S4M | 0.468085 | 0.701149 |
243 | 6MZ | 0.468085 | 0.868421 |
244 | GJV | 0.468085 | 0.765432 |
245 | 0UM | 0.466667 | 0.777778 |
246 | 2AM | 0.466667 | 0.88 |
247 | A5D | 0.464646 | 0.75641 |
248 | MAO | 0.463158 | 0.77381 |
249 | A3G | 0.462366 | 0.84 |
250 | DSH | 0.462366 | 0.7625 |
251 | 62X | 0.462264 | 0.72093 |
252 | FB0 | 0.462121 | 0.818182 |
253 | 2SA | 0.460784 | 0.946667 |
254 | B1U | 0.459459 | 0.731183 |
255 | A3T | 0.459184 | 0.813333 |
256 | NA7 | 0.457944 | 0.896104 |
257 | K15 | 0.457944 | 0.738095 |
258 | 3AT | 0.455446 | 0.906667 |
259 | NO7 | 0.451923 | 0.871795 |
260 | OVE | 0.451613 | 0.846154 |
261 | 7C5 | 0.451327 | 0.810127 |
262 | NDC | 0.451128 | 0.8625 |
263 | G A A A | 0.45082 | 0.8625 |
264 | NDP | 0.45 | 0.8625 |
265 | 8Q2 | 0.449153 | 0.786517 |
266 | KOY | 0.448276 | 0.818182 |
267 | NEC | 0.446809 | 0.74026 |
268 | AV2 | 0.446602 | 0.833333 |
269 | NZQ | 0.446281 | 0.875 |
270 | 5AD | 0.445783 | 0.716216 |
271 | KB1 | 0.445455 | 0.756098 |
272 | DAT | 0.444444 | 0.87013 |
273 | 4YB | 0.443478 | 0.816092 |
274 | AVV | 0.443396 | 0.8625 |
275 | NJP | 0.442623 | 0.884615 |
276 | Y3J | 0.44186 | 0.697368 |
277 | 6IA | 0.441176 | 0.851852 |
278 | DTP | 0.441176 | 0.87013 |
279 | 649 | 0.440678 | 0.777778 |
280 | 7D7 | 0.440476 | 0.736842 |
281 | C2R | 0.43956 | 0.868421 |
282 | AMZ | 0.43956 | 0.855263 |
283 | 4TA | 0.439024 | 0.843373 |
284 | A G | 0.439024 | 0.85 |
285 | NPW | 0.438017 | 0.876543 |
286 | AAT | 0.436893 | 0.743902 |
287 | ETB | 0.436508 | 0.847059 |
288 | DCA | 0.436508 | 0.837209 |
289 | OZP | 0.435897 | 0.7875 |
290 | U A G G | 0.435484 | 0.85 |
291 | SFD | 0.434783 | 0.729167 |
292 | TXP | 0.434426 | 0.8625 |
293 | MHZ | 0.434343 | 0.732558 |
294 | PGS | 0.434343 | 0.804878 |
295 | D3Y | 0.433962 | 0.828947 |
296 | GGZ | 0.433962 | 0.77381 |
297 | FDA | 0.433824 | 0.804598 |
298 | LQJ | 0.433628 | 0.906667 |
299 | 71V | 0.43299 | 0.82716 |
300 | FNK | 0.432624 | 0.797753 |
301 | N5O | 0.431579 | 0.802632 |
302 | 6C6 | 0.431373 | 0.871795 |
303 | VRT | 0.431373 | 0.807692 |
304 | A6D | 0.431193 | 0.697674 |
305 | ODP | 0.430894 | 0.851852 |
306 | 30N | 0.430769 | 0.765957 |
307 | 6FA | 0.430657 | 0.833333 |
308 | NIA | 0.430108 | 0.771084 |
309 | 2VA | 0.43 | 0.792208 |
310 | 0T1 | 0.429688 | 0.837209 |
311 | COA | 0.429688 | 0.837209 |
312 | U A | 0.428571 | 0.873418 |
313 | 3NZ | 0.427273 | 0.820513 |
314 | FAS | 0.42446 | 0.843373 |
315 | FAD | 0.42446 | 0.843373 |
316 | SXZ | 0.423423 | 0.768293 |
317 | N5A | 0.42268 | 0.776316 |
318 | NVA 2AD | 0.421569 | 0.797468 |
319 | CAO | 0.419847 | 0.808989 |
320 | AMX | 0.419847 | 0.847059 |
321 | COS | 0.419847 | 0.818182 |
322 | KH3 | 0.418803 | 0.75 |
323 | A A A | 0.418182 | 0.894737 |
324 | PO4 PO4 A A A A PO4 | 0.418182 | 0.866667 |
325 | SO8 | 0.417476 | 0.782051 |
326 | 6K6 | 0.416667 | 0.893333 |
327 | D5M | 0.416667 | 0.868421 |
328 | DA | 0.416667 | 0.868421 |
329 | S8M | 0.416667 | 0.775 |
330 | SCO | 0.416667 | 0.858824 |
331 | CMX | 0.416667 | 0.858824 |
332 | XNP | 0.416 | 0.841463 |
333 | HZ2 | 0.415254 | 0.790123 |
334 | FCX | 0.413534 | 0.829545 |
335 | ACO | 0.413534 | 0.808989 |
336 | FAM | 0.413534 | 0.818182 |
337 | F0P | 0.413223 | 0.7875 |
338 | 62F | 0.412587 | 0.853659 |
339 | FAI | 0.412371 | 0.855263 |
340 | AAM | 0.412371 | 0.905405 |
341 | NMX | 0.411765 | 0.774194 |
342 | HAX | 0.410448 | 0.818182 |
343 | 7DD | 0.41 | 0.893333 |
344 | APU | 0.409836 | 0.884615 |
345 | FAY | 0.409722 | 0.853659 |
346 | P5F | 0.409396 | 0.816092 |
347 | Z5A | 0.409091 | 0.793103 |
348 | N6P | 0.409091 | 0.853333 |
349 | SCD | 0.408759 | 0.858824 |
350 | 2MC | 0.408759 | 0.782609 |
351 | HY8 | 0.408333 | 0.790123 |
352 | 3KK | 0.407407 | 0.818182 |
353 | FYN | 0.407407 | 0.837209 |
354 | KGA | 0.407143 | 0.776596 |
355 | RFL | 0.406897 | 0.813953 |
356 | SLU | 0.40625 | 0.764045 |
357 | KGJ | 0.405797 | 0.765957 |
358 | 9JJ | 0.405405 | 0.831325 |
359 | V1N | 0.405172 | 0.906667 |
360 | N37 | 0.404959 | 0.794872 |
361 | NMN AMP PO4 | 0.404762 | 0.860759 |
362 | MCD | 0.404412 | 0.83908 |
363 | CA6 | 0.404412 | 0.742268 |
364 | OXK | 0.404412 | 0.83908 |
365 | COK | 0.404412 | 0.818182 |
366 | SOP | 0.404412 | 0.818182 |
367 | YZS | 0.404412 | 0.742268 |
368 | KGP | 0.404412 | 0.742268 |
369 | F2N | 0.403974 | 0.806818 |
370 | 12D | 0.403361 | 0.738636 |
371 | LCV | 0.402878 | 0.752577 |
372 | SO5 | 0.402878 | 0.752577 |
373 | NAP | 0.401515 | 0.907895 |
374 | CO6 | 0.40146 | 0.818182 |
375 | 1VU | 0.40146 | 0.808989 |
376 | CMC | 0.40146 | 0.83908 |
377 | RGT | 0.4 | 0.896104 |
378 | DDS | 0.4 | 0.820513 |
379 | AIR | 0.4 | 0.84 |
This union binding pocket(no: 1) in the query (biounit: 1wle.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3ERR | AMP | 38.3234 |
2 | 3ERR | AMP | 38.3234 |
This union binding pocket(no: 2) in the query (biounit: 1wle.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3ERR | AMP | 38.3234 |
2 | 3ERR | AMP | 38.3234 |