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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 1331 families. | |||||
1 | 2EQA | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
2 | 4E1B | - | TXA | C15 H21 N6 O11 P | C[C@H]([C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 2EQA | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
2 | 4E1B | - | TXA | C15 H21 N6 O11 P | C[C@H]([C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TXA | 1 | 1 |
2 | QA7 | 0.72043 | 0.934211 |
3 | KG4 | 0.715909 | 0.959459 |
4 | 5AL | 0.714286 | 0.972603 |
5 | 8QN | 0.712766 | 0.972603 |
6 | CA0 | 0.704545 | 0.986301 |
7 | 8LQ | 0.702128 | 0.946667 |
8 | 8LH | 0.698925 | 0.946667 |
9 | 8LE | 0.677419 | 0.934211 |
10 | PAJ | 0.670103 | 0.923077 |
11 | A2D | 0.666667 | 0.932432 |
12 | SRP | 0.663158 | 0.921053 |
13 | PTJ | 0.66 | 0.910256 |
14 | AMO | 0.653061 | 0.946667 |
15 | BA3 | 0.651685 | 0.932432 |
16 | M33 | 0.648352 | 0.945946 |
17 | AP5 | 0.644444 | 0.932432 |
18 | B4P | 0.644444 | 0.932432 |
19 | ADP | 0.644444 | 0.932432 |
20 | OOB | 0.642857 | 0.945946 |
21 | 9ZD | 0.642857 | 0.922078 |
22 | 9ZA | 0.642857 | 0.922078 |
23 | V2G | 0.642105 | 0.886076 |
24 | ACP | 0.641304 | 0.907895 |
25 | AT4 | 0.637363 | 0.896104 |
26 | AN2 | 0.637363 | 0.92 |
27 | 4AD | 0.636364 | 0.934211 |
28 | PRX | 0.634409 | 0.883117 |
29 | LAD | 0.633663 | 0.875 |
30 | WAQ | 0.633663 | 0.897436 |
31 | A | 0.632184 | 0.905405 |
32 | AMP | 0.632184 | 0.905405 |
33 | ADX | 0.630435 | 0.841463 |
34 | DLL | 0.63 | 0.945946 |
35 | 00A | 0.63 | 0.897436 |
36 | 45A | 0.629214 | 0.906667 |
37 | ABM | 0.629214 | 0.906667 |
38 | ME8 | 0.627451 | 0.876543 |
39 | 1ZZ | 0.627451 | 0.876543 |
40 | NB8 | 0.627451 | 0.910256 |
41 | ATP | 0.623656 | 0.932432 |
42 | 50T | 0.623656 | 0.894737 |
43 | HEJ | 0.623656 | 0.932432 |
44 | 5FA | 0.617021 | 0.932432 |
45 | APR | 0.617021 | 0.958904 |
46 | AQP | 0.617021 | 0.932432 |
47 | AR6 | 0.617021 | 0.958904 |
48 | 48N | 0.614679 | 0.935065 |
49 | ANP | 0.614583 | 0.907895 |
50 | AHX | 0.613861 | 0.886076 |
51 | AU1 | 0.612903 | 0.907895 |
52 | AD9 | 0.610526 | 0.907895 |
53 | AGS | 0.610526 | 0.884615 |
54 | B5Y | 0.609524 | 0.934211 |
55 | 3UK | 0.607843 | 0.933333 |
56 | AMP MG | 0.606742 | 0.891892 |
57 | LAQ | 0.605505 | 0.853659 |
58 | B5V | 0.601942 | 0.921053 |
59 | PR8 | 0.601942 | 0.864198 |
60 | DAL AMP | 0.6 | 0.945946 |
61 | ACQ | 0.597938 | 0.907895 |
62 | A12 | 0.597826 | 0.896104 |
63 | AP2 | 0.597826 | 0.896104 |
64 | B5M | 0.59434 | 0.934211 |
65 | FA5 | 0.59434 | 0.921053 |
66 | OAD | 0.592233 | 0.986301 |
67 | HQG | 0.59 | 0.945946 |
68 | SRA | 0.588889 | 0.858974 |
69 | XAH | 0.588785 | 0.831325 |
70 | IOT | 0.587719 | 0.823529 |
71 | ATF | 0.585859 | 0.896104 |
72 | YLP | 0.585586 | 0.855422 |
73 | 9SN | 0.584906 | 0.886076 |
74 | TSB | 0.584158 | 0.833333 |
75 | JNT | 0.582524 | 0.907895 |
76 | GAP | 0.581633 | 0.907895 |
77 | 3OD | 0.580952 | 0.986301 |
78 | 6YZ | 0.58 | 0.907895 |
79 | 5SV | 0.578431 | 0.839506 |
80 | 9X8 | 0.576923 | 0.934211 |
81 | A3R | 0.572816 | 0.873418 |
82 | 4UU | 0.572727 | 0.909091 |
83 | YLB | 0.570175 | 0.855422 |
84 | YLC | 0.570175 | 0.876543 |
85 | YLA | 0.568965 | 0.855422 |
86 | 4UV | 0.568807 | 0.909091 |
87 | A22 | 0.568627 | 0.92 |
88 | ADP MG | 0.568421 | 0.905405 |
89 | SON | 0.568421 | 0.921053 |
90 | ADP BEF | 0.568421 | 0.905405 |
91 | APC | 0.56701 | 0.896104 |
92 | 4UW | 0.566372 | 0.898734 |
93 | TAT | 0.565657 | 0.896104 |
94 | T99 | 0.565657 | 0.896104 |
95 | AYB | 0.564103 | 0.86747 |
96 | 25A | 0.563107 | 0.906667 |
97 | OZV | 0.563107 | 0.932432 |
98 | ADV | 0.561224 | 0.921053 |
99 | RBY | 0.561224 | 0.921053 |
100 | F2R | 0.559322 | 0.855422 |
101 | GA7 | 0.558559 | 0.896104 |
102 | A1R | 0.557692 | 0.873418 |
103 | ADQ | 0.557692 | 0.933333 |
104 | A5A | 0.554455 | 0.821429 |
105 | DQV | 0.553571 | 0.945946 |
106 | BIS | 0.551402 | 0.873418 |
107 | FYA | 0.551402 | 0.87013 |
108 | BT5 | 0.55 | 0.823529 |
109 | TYM | 0.547826 | 0.921053 |
110 | OMR | 0.547826 | 0.888889 |
111 | MYR AMP | 0.546296 | 0.853659 |
112 | ATP MG | 0.545455 | 0.905405 |
113 | APC MG | 0.545455 | 0.881579 |
114 | ADP PO3 | 0.545455 | 0.905405 |
115 | 52H | 0.543689 | 0.793103 |
116 | VMS | 0.543689 | 0.802326 |
117 | 54H | 0.543689 | 0.802326 |
118 | LMS | 0.543478 | 0.797619 |
119 | 5AS | 0.541667 | 0.772727 |
120 | BEF ADP | 0.54 | 0.881579 |
121 | G5A | 0.54 | 0.772727 |
122 | ANP MG | 0.539216 | 0.894737 |
123 | ALF ADP | 0.539216 | 0.8375 |
124 | 53H | 0.538462 | 0.793103 |
125 | MAP | 0.538462 | 0.884615 |
126 | KMQ | 0.536364 | 0.946667 |
127 | TXE | 0.534483 | 0.897436 |
128 | YLY | 0.532258 | 0.845238 |
129 | 25L | 0.53211 | 0.92 |
130 | 7MD | 0.530973 | 0.876543 |
131 | AFH | 0.530973 | 0.875 |
132 | ARG AMP | 0.530973 | 0.821429 |
133 | LPA AMP | 0.530435 | 0.831325 |
134 | L3W | 0.529915 | 0.921053 |
135 | AP0 | 0.529915 | 0.886076 |
136 | 7MC | 0.529915 | 0.878049 |
137 | COD | 0.528926 | 0.825581 |
138 | LSS | 0.528302 | 0.775281 |
139 | TXD | 0.525862 | 0.897436 |
140 | DND | 0.525862 | 0.946667 |
141 | NAX | 0.525862 | 0.864198 |
142 | VO4 ADP | 0.524272 | 0.883117 |
143 | JB6 | 0.522936 | 0.85 |
144 | G3A | 0.522124 | 0.886076 |
145 | SSA | 0.519231 | 0.793103 |
146 | LEU LMS | 0.518519 | 0.764045 |
147 | G5P | 0.517544 | 0.886076 |
148 | DSZ | 0.514019 | 0.813953 |
149 | GTA | 0.513043 | 0.876543 |
150 | NAI | 0.512821 | 0.897436 |
151 | 6V0 | 0.512821 | 0.886076 |
152 | 5CA | 0.509434 | 0.793103 |
153 | NVA LMS | 0.509259 | 0.766667 |
154 | 80F | 0.508065 | 0.855422 |
155 | N0B | 0.507812 | 0.855422 |
156 | ADP BMA | 0.504587 | 0.907895 |
157 | ADJ | 0.504132 | 0.843373 |
158 | D4F | 0.503937 | 0.853659 |
159 | GSU | 0.5 | 0.793103 |
160 | NAQ | 0.5 | 0.886076 |
161 | A4P | 0.5 | 0.813953 |
162 | CNA | 0.5 | 0.921053 |
163 | 5N5 | 0.5 | 0.786667 |
164 | FB0 | 0.5 | 0.797753 |
165 | NSS | 0.5 | 0.793103 |
166 | TAD | 0.5 | 0.875 |
167 | KAA | 0.5 | 0.747253 |
168 | AMP DBH | 0.5 | 0.883117 |
169 | AOC | 0.5 | 0.789474 |
170 | A3D | 0.496 | 0.933333 |
171 | ALF ADP 3PG | 0.495798 | 0.851852 |
172 | AF3 ADP 3PG | 0.495798 | 0.851852 |
173 | AHZ | 0.495726 | 0.853659 |
174 | 8X1 | 0.495327 | 0.747253 |
175 | 5X8 | 0.49505 | 0.779221 |
176 | 5CD | 0.494382 | 0.773333 |
177 | RAB | 0.494253 | 0.810811 |
178 | ADN | 0.494253 | 0.810811 |
179 | XYA | 0.494253 | 0.810811 |
180 | BTX | 0.491935 | 0.811765 |
181 | T5A | 0.491803 | 0.855422 |
182 | 6RE | 0.489583 | 0.710843 |
183 | 3DH | 0.489362 | 0.766234 |
184 | UP5 | 0.487395 | 0.909091 |
185 | P5A | 0.486486 | 0.73913 |
186 | SA8 | 0.485437 | 0.743902 |
187 | M24 | 0.484375 | 0.864198 |
188 | SXZ | 0.482143 | 0.746988 |
189 | A3T | 0.480392 | 0.837838 |
190 | SFG | 0.480392 | 0.766234 |
191 | NAD | 0.48 | 0.92 |
192 | UPA | 0.479339 | 0.897436 |
193 | 4TC | 0.479339 | 0.886076 |
194 | 7D5 | 0.478723 | 0.820513 |
195 | YSA | 0.478261 | 0.772727 |
196 | EP4 | 0.478261 | 0.746835 |
197 | A4D | 0.477778 | 0.786667 |
198 | S7M | 0.476636 | 0.72619 |
199 | DZD | 0.47619 | 0.875 |
200 | 2A5 | 0.475728 | 0.858974 |
201 | 7D3 | 0.474747 | 0.846154 |
202 | M2T | 0.473118 | 0.728395 |
203 | DTA | 0.473118 | 0.75641 |
204 | EEM | 0.471698 | 0.72619 |
205 | ATR | 0.471154 | 0.905405 |
206 | PAP | 0.471154 | 0.918919 |
207 | 7D4 | 0.470588 | 0.846154 |
208 | A3P | 0.47 | 0.905405 |
209 | ATP A A A | 0.469565 | 0.893333 |
210 | ATP A | 0.469565 | 0.893333 |
211 | 8PZ | 0.469565 | 0.793103 |
212 | NAE | 0.469231 | 0.909091 |
213 | 9K8 | 0.469027 | 0.747253 |
214 | MTA | 0.468085 | 0.766234 |
215 | 139 | 0.467742 | 0.864198 |
216 | 2SA | 0.46729 | 0.921053 |
217 | SAH | 0.466667 | 0.759494 |
218 | SAI | 0.466667 | 0.75 |
219 | EAD | 0.466165 | 0.8875 |
220 | AR6 AR6 | 0.466102 | 0.906667 |
221 | H1Q | 0.466019 | 0.868421 |
222 | J7C | 0.464646 | 0.719512 |
223 | NDE | 0.463235 | 0.896104 |
224 | SMM | 0.462963 | 0.72093 |
225 | SAM | 0.462264 | 0.72619 |
226 | 4YB | 0.462185 | 0.775281 |
227 | ZID | 0.462121 | 0.907895 |
228 | J4G | 0.460177 | 0.909091 |
229 | 6MZ | 0.46 | 0.893333 |
230 | GJV | 0.46 | 0.702381 |
231 | S4M | 0.46 | 0.662921 |
232 | 0UM | 0.459459 | 0.73494 |
233 | A2R | 0.458716 | 0.945946 |
234 | 6AD | 0.457944 | 0.875 |
235 | PPS | 0.457944 | 0.819277 |
236 | ITT | 0.456311 | 0.88 |
237 | A2P | 0.455446 | 0.891892 |
238 | 62X | 0.455357 | 0.701149 |
239 | NAD TDB | 0.455285 | 0.906667 |
240 | NAD IBO | 0.455285 | 0.906667 |
241 | A3G | 0.454545 | 0.792208 |
242 | 3AM | 0.453608 | 0.866667 |
243 | B1U | 0.452991 | 0.731183 |
244 | JSQ | 0.45283 | 0.884615 |
245 | HFD | 0.45283 | 0.884615 |
246 | P1H | 0.452555 | 0.865854 |
247 | A3N | 0.45 | 0.75641 |
248 | V3L | 0.448598 | 0.932432 |
249 | 6IA | 0.448598 | 0.807229 |
250 | WSA | 0.447154 | 0.781609 |
251 | NWW | 0.445652 | 0.753425 |
252 | AMP NAD | 0.445312 | 0.92 |
253 | ARU | 0.442478 | 0.829268 |
254 | MAO | 0.441176 | 0.752941 |
255 | DSH | 0.44 | 0.698795 |
256 | NEC | 0.44 | 0.763158 |
257 | FDA | 0.439716 | 0.825581 |
258 | O02 | 0.439252 | 0.8625 |
259 | NA7 | 0.438596 | 0.896104 |
260 | K15 | 0.438596 | 0.717647 |
261 | FNK | 0.438356 | 0.797753 |
262 | CUU | 0.438095 | 0.906667 |
263 | AVV | 0.4375 | 0.8625 |
264 | K3E | 0.436975 | 0.7625 |
265 | 6FA | 0.43662 | 0.855422 |
266 | IMO | 0.435644 | 0.866667 |
267 | 649 | 0.435484 | 0.73913 |
268 | 3AT | 0.435185 | 0.906667 |
269 | NAJ PZO | 0.435115 | 0.839506 |
270 | ZAS | 0.434343 | 0.7375 |
271 | 7C5 | 0.433333 | 0.810127 |
272 | A7D | 0.432692 | 0.746835 |
273 | A3S | 0.432692 | 0.802632 |
274 | NO7 | 0.432432 | 0.871795 |
275 | K3K | 0.432203 | 0.772152 |
276 | 8Q2 | 0.432 | 0.766667 |
277 | KOY | 0.430894 | 0.818182 |
278 | SFD | 0.430556 | 0.747368 |
279 | NWQ | 0.428571 | 0.756757 |
280 | 2AM | 0.428571 | 0.88 |
281 | MHZ | 0.428571 | 0.693182 |
282 | QXG | 0.426087 | 0.75 |
283 | NDC | 0.425532 | 0.8625 |
284 | QXP | 0.424779 | 0.758621 |
285 | GEK | 0.424779 | 0.753086 |
286 | 2VA | 0.424528 | 0.815789 |
287 | V47 | 0.423423 | 0.8 |
288 | 4TA | 0.423077 | 0.821429 |
289 | NAJ PYZ | 0.422222 | 0.8 |
290 | 5AD | 0.422222 | 0.739726 |
291 | MCD | 0.421429 | 0.818182 |
292 | ETB | 0.421053 | 0.825581 |
293 | DCA | 0.421053 | 0.816092 |
294 | FAD | 0.42069 | 0.865854 |
295 | FAS | 0.42069 | 0.865854 |
296 | FCX | 0.42029 | 0.808989 |
297 | 38V | 0.419118 | 0.853659 |
298 | CMC | 0.41844 | 0.818182 |
299 | C2R | 0.418367 | 0.893333 |
300 | AAT | 0.418182 | 0.682353 |
301 | FME ARG THR GLY ASN ALA ASP ND7 | 0.418182 | 0.782609 |
302 | N5A | 0.417476 | 0.730769 |
303 | NVA 2AD | 0.416667 | 0.775 |
304 | KYE | 0.416667 | 0.709302 |
305 | LQJ | 0.416667 | 0.881579 |
306 | A5D | 0.416667 | 0.75641 |
307 | K2W | 0.416667 | 0.714286 |
308 | GGZ | 0.415929 | 0.795181 |
309 | OVE | 0.415842 | 0.846154 |
310 | P5F | 0.415584 | 0.837209 |
311 | NJP | 0.415385 | 0.909091 |
312 | ODP | 0.415385 | 0.875 |
313 | KB1 | 0.415254 | 0.714286 |
314 | COA | 0.414815 | 0.816092 |
315 | 0T1 | 0.414815 | 0.816092 |
316 | KH3 | 0.414634 | 0.709302 |
317 | KXW | 0.414634 | 0.722892 |
318 | AV2 | 0.414414 | 0.857143 |
319 | SCO | 0.413043 | 0.837209 |
320 | CMX | 0.413043 | 0.837209 |
321 | 6C6 | 0.412844 | 0.825 |
322 | SO8 | 0.412844 | 0.805195 |
323 | 0WD | 0.412214 | 0.886076 |
324 | Q2P | 0.412214 | 0.689655 |
325 | N5O | 0.411765 | 0.75641 |
326 | SOP | 0.411348 | 0.797753 |
327 | OXK | 0.411348 | 0.818182 |
328 | DAT | 0.411215 | 0.846154 |
329 | NPW | 0.410853 | 0.853659 |
330 | R2V | 0.410256 | 0.758621 |
331 | FAM | 0.410072 | 0.797753 |
332 | MCA | 0.409722 | 0.808989 |
333 | Q34 | 0.409449 | 0.689655 |
334 | 62F | 0.409396 | 0.853659 |
335 | DTP | 0.409091 | 0.846154 |
336 | U4Y | 0.408 | 0.753086 |
337 | OZP | 0.408 | 0.743902 |
338 | TXP | 0.407692 | 0.886076 |
339 | 2CP | 0.406897 | 0.808989 |
340 | K2R | 0.40678 | 0.87013 |
341 | FAY | 0.406667 | 0.876543 |
342 | COS | 0.405797 | 0.797753 |
343 | CAO | 0.405797 | 0.788889 |
344 | AMX | 0.405797 | 0.825581 |
345 | 30N | 0.405797 | 0.747368 |
346 | 2MC | 0.405594 | 0.763441 |
347 | Y3J | 0.404255 | 0.697368 |
348 | AMZ | 0.40404 | 0.88 |
349 | RFL | 0.403974 | 0.835294 |
350 | KY2 | 0.403509 | 0.686047 |
351 | PGS | 0.401869 | 0.82716 |
352 | OK8 | 0.401786 | 0.87013 |
353 | YZS | 0.401408 | 0.72449 |
354 | KGP | 0.401408 | 0.72449 |
355 | F2N | 0.401274 | 0.806818 |
356 | VRT | 0.4 | 0.78481 |
357 | K38 | 0.4 | 0.75 |
358 | 71V | 0.4 | 0.85 |
359 | NDP | 0.4 | 0.886076 |
360 | HZ2 | 0.4 | 0.746988 |
361 | ACO | 0.4 | 0.788889 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2eqa.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |