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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 101 families. | |||||
1 | 5JDA | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 70 families. | |||||
1 | 5JDA | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AMP | 1 | 1 |
2 | A | 1 | 1 |
3 | 45A | 0.833333 | 0.943662 |
4 | ABM | 0.833333 | 0.943662 |
5 | A2D | 0.833333 | 0.943662 |
6 | AMP MG | 0.830769 | 0.956522 |
7 | ADP | 0.823529 | 0.971429 |
8 | BA3 | 0.808824 | 0.943662 |
9 | AP2 | 0.808824 | 0.931507 |
10 | A12 | 0.808824 | 0.931507 |
11 | SRA | 0.80303 | 0.944444 |
12 | AP5 | 0.797101 | 0.943662 |
13 | B4P | 0.797101 | 0.943662 |
14 | HEJ | 0.788732 | 0.971429 |
15 | ATP | 0.788732 | 0.971429 |
16 | AN2 | 0.785714 | 0.957747 |
17 | AT4 | 0.785714 | 0.931507 |
18 | APC | 0.777778 | 0.931507 |
19 | 5FA | 0.777778 | 0.971429 |
20 | AQP | 0.777778 | 0.971429 |
21 | AU1 | 0.774648 | 0.944444 |
22 | CA0 | 0.774648 | 0.917808 |
23 | ADX | 0.774648 | 0.848101 |
24 | M33 | 0.774648 | 0.930556 |
25 | KG4 | 0.763889 | 0.917808 |
26 | ACP | 0.763889 | 0.944444 |
27 | 50T | 0.763889 | 0.957747 |
28 | ADP BEF | 0.760563 | 0.942857 |
29 | ADP MG | 0.760563 | 0.942857 |
30 | 25A | 0.75641 | 0.971429 |
31 | APR | 0.753425 | 0.943662 |
32 | AR6 | 0.753425 | 0.943662 |
33 | PRX | 0.753425 | 0.917808 |
34 | TAT | 0.746667 | 0.931507 |
35 | T99 | 0.746667 | 0.931507 |
36 | ACQ | 0.746667 | 0.944444 |
37 | AGS | 0.743243 | 0.918919 |
38 | RBY | 0.743243 | 0.905405 |
39 | ADV | 0.743243 | 0.905405 |
40 | AD9 | 0.743243 | 0.944444 |
41 | ANP | 0.723684 | 0.944444 |
42 | APC MG | 0.72 | 0.916667 |
43 | ATP MG | 0.72 | 0.942857 |
44 | ADP PO3 | 0.72 | 0.942857 |
45 | 6YZ | 0.717949 | 0.944444 |
46 | 5AL | 0.714286 | 0.930556 |
47 | V2G | 0.714286 | 0.894737 |
48 | 8LE | 0.714286 | 0.893333 |
49 | SON | 0.712329 | 0.931507 |
50 | BEF ADP | 0.710526 | 0.916667 |
51 | LMS | 0.710145 | 0.825 |
52 | ADN | 0.709677 | 0.842857 |
53 | RAB | 0.709677 | 0.842857 |
54 | XYA | 0.709677 | 0.842857 |
55 | HQG | 0.708861 | 0.957747 |
56 | ATF | 0.705128 | 0.931507 |
57 | GAP | 0.701299 | 0.891892 |
58 | A22 | 0.7 | 0.957747 |
59 | 8LH | 0.696203 | 0.905405 |
60 | SRP | 0.696203 | 0.905405 |
61 | 7D5 | 0.691176 | 0.902778 |
62 | A2P | 0.684932 | 0.956522 |
63 | A3P | 0.684932 | 0.971014 |
64 | ALF ADP | 0.683544 | 0.868421 |
65 | ANP MG | 0.683544 | 0.930556 |
66 | VO4 ADP | 0.683544 | 0.944444 |
67 | ADQ | 0.682927 | 0.917808 |
68 | MAP | 0.679012 | 0.918919 |
69 | QA7 | 0.679012 | 0.893333 |
70 | 8LQ | 0.679012 | 0.905405 |
71 | 5SV | 0.670732 | 0.87013 |
72 | OZV | 0.670732 | 0.943662 |
73 | 9ZA | 0.670732 | 0.906667 |
74 | 9ZD | 0.670732 | 0.906667 |
75 | OOB | 0.670732 | 0.930556 |
76 | 8QN | 0.670732 | 0.930556 |
77 | PTJ | 0.670588 | 0.894737 |
78 | AOC | 0.666667 | 0.84507 |
79 | A1R | 0.662651 | 0.881579 |
80 | A3R | 0.662651 | 0.881579 |
81 | AMO | 0.662651 | 0.905405 |
82 | PAJ | 0.662651 | 0.858974 |
83 | 4AD | 0.662651 | 0.893333 |
84 | 5N5 | 0.661538 | 0.816901 |
85 | DAL AMP | 0.658537 | 0.90411 |
86 | IMO | 0.657534 | 0.928571 |
87 | DLL | 0.654762 | 0.930556 |
88 | 00A | 0.654762 | 0.881579 |
89 | AHX | 0.654762 | 0.87013 |
90 | JNT | 0.654762 | 0.917808 |
91 | 5AS | 0.653333 | 0.776471 |
92 | A4D | 0.651515 | 0.816901 |
93 | 5CD | 0.651515 | 0.828571 |
94 | 6MZ | 0.648649 | 0.957143 |
95 | ADP BMA | 0.647059 | 0.891892 |
96 | 3UK | 0.647059 | 0.917808 |
97 | OAD | 0.647059 | 0.917808 |
98 | 9X8 | 0.647059 | 0.893333 |
99 | 25L | 0.643678 | 0.957747 |
100 | PR8 | 0.639535 | 0.848101 |
101 | WAQ | 0.639535 | 0.881579 |
102 | LAD | 0.639535 | 0.858974 |
103 | B5V | 0.639535 | 0.905405 |
104 | DTA | 0.637681 | 0.808219 |
105 | V3L | 0.6375 | 0.971429 |
106 | 3DH | 0.633803 | 0.794521 |
107 | 3OD | 0.632184 | 0.917808 |
108 | FYA | 0.632184 | 0.930556 |
109 | BIS | 0.632184 | 0.906667 |
110 | TXA | 0.632184 | 0.905405 |
111 | 1ZZ | 0.632184 | 0.8375 |
112 | ME8 | 0.632184 | 0.8375 |
113 | NB8 | 0.632184 | 0.87013 |
114 | MTA | 0.628571 | 0.794521 |
115 | 3AM | 0.625 | 0.956522 |
116 | EP4 | 0.623188 | 0.773333 |
117 | 9SN | 0.617977 | 0.87013 |
118 | M2T | 0.614286 | 0.753247 |
119 | JB6 | 0.613636 | 0.881579 |
120 | KMQ | 0.611111 | 0.905405 |
121 | FA5 | 0.611111 | 0.905405 |
122 | B5Y | 0.611111 | 0.893333 |
123 | B5M | 0.611111 | 0.893333 |
124 | H1Q | 0.607595 | 0.929577 |
125 | MYR AMP | 0.606742 | 0.814815 |
126 | G5A | 0.604938 | 0.776471 |
127 | XAH | 0.604396 | 0.8375 |
128 | 4UV | 0.597826 | 0.893333 |
129 | 71V | 0.597403 | 0.906667 |
130 | ATP A | 0.593407 | 0.929577 |
131 | ATP A A A | 0.593407 | 0.929577 |
132 | PAP | 0.592593 | 0.957143 |
133 | G3A | 0.591398 | 0.894737 |
134 | 2AM | 0.589041 | 0.942857 |
135 | 5X8 | 0.5875 | 0.783784 |
136 | 6RE | 0.586667 | 0.779221 |
137 | 6C6 | 0.585366 | 0.905405 |
138 | G5P | 0.585106 | 0.894737 |
139 | AFH | 0.585106 | 0.858974 |
140 | 4UU | 0.585106 | 0.893333 |
141 | GA7 | 0.585106 | 0.905405 |
142 | 7D3 | 0.584416 | 0.878378 |
143 | A5A | 0.583333 | 0.804878 |
144 | TSB | 0.581395 | 0.795181 |
145 | AMP DBH | 0.580645 | 0.891892 |
146 | 2A5 | 0.580247 | 0.891892 |
147 | TAD | 0.578947 | 0.858974 |
148 | GTA | 0.578947 | 0.860759 |
149 | DQV | 0.578947 | 0.930556 |
150 | DSH | 0.578947 | 0.74359 |
151 | 6IA | 0.578313 | 0.858974 |
152 | SSA | 0.576471 | 0.776471 |
153 | AMZ | 0.575342 | 0.888889 |
154 | C2R | 0.575342 | 0.876712 |
155 | 7D4 | 0.575 | 0.878378 |
156 | PGS | 0.575 | 0.857143 |
157 | ZAS | 0.573333 | 0.786667 |
158 | ATR | 0.573171 | 0.942857 |
159 | LAQ | 0.572917 | 0.8375 |
160 | AAM | 0.571429 | 1 |
161 | PPS | 0.571429 | 0.848101 |
162 | A3N | 0.571429 | 0.783784 |
163 | J7C | 0.571429 | 0.789474 |
164 | AIR | 0.571429 | 0.927536 |
165 | 52H | 0.569767 | 0.776471 |
166 | 54H | 0.569767 | 0.785714 |
167 | VMS | 0.569767 | 0.785714 |
168 | 7MD | 0.568421 | 0.8375 |
169 | ARG AMP | 0.568421 | 0.82716 |
170 | AR6 AR6 | 0.568421 | 0.916667 |
171 | YLP | 0.56701 | 0.817073 |
172 | 48N | 0.56701 | 0.87013 |
173 | OVE | 0.565789 | 0.90411 |
174 | UPA | 0.565657 | 0.881579 |
175 | 2SA | 0.564706 | 0.905405 |
176 | S4M | 0.564103 | 0.682353 |
177 | 5CA | 0.563218 | 0.776471 |
178 | 53H | 0.563218 | 0.776471 |
179 | 8X1 | 0.563218 | 0.75 |
180 | 6V0 | 0.561224 | 0.87013 |
181 | NAX | 0.561224 | 0.848101 |
182 | 4UW | 0.561224 | 0.858974 |
183 | TXD | 0.561224 | 0.881579 |
184 | UP5 | 0.561224 | 0.893333 |
185 | NAI | 0.561224 | 0.881579 |
186 | DND | 0.561224 | 0.905405 |
187 | NIA | 0.56 | 0.820513 |
188 | D5M | 0.558442 | 0.902778 |
189 | DA | 0.558442 | 0.902778 |
190 | NWW | 0.557143 | 0.757143 |
191 | MAO | 0.556962 | 0.777778 |
192 | AHZ | 0.556701 | 0.814815 |
193 | TXE | 0.555556 | 0.881579 |
194 | TYM | 0.555556 | 0.905405 |
195 | ITT | 0.555556 | 0.915493 |
196 | OMR | 0.555556 | 0.82716 |
197 | 5AD | 0.552239 | 0.768116 |
198 | A2R | 0.551724 | 0.957747 |
199 | LPA AMP | 0.55102 | 0.814815 |
200 | DSZ | 0.550562 | 0.776471 |
201 | NSS | 0.550562 | 0.776471 |
202 | LSS | 0.550562 | 0.758621 |
203 | YLC | 0.55 | 0.8375 |
204 | L3W | 0.55 | 0.905405 |
205 | YLB | 0.55 | 0.817073 |
206 | AP0 | 0.55 | 0.87013 |
207 | 4TC | 0.55 | 0.87013 |
208 | P5A | 0.549451 | 0.741573 |
209 | J4G | 0.549451 | 0.918919 |
210 | 139 | 0.54902 | 0.848101 |
211 | O02 | 0.547619 | 0.894737 |
212 | A4P | 0.544554 | 0.819277 |
213 | NVA LMS | 0.544444 | 0.75 |
214 | GJV | 0.544304 | 0.769231 |
215 | 7D7 | 0.544118 | 0.763889 |
216 | 9K8 | 0.543478 | 0.711111 |
217 | A7D | 0.54321 | 0.797297 |
218 | AF3 ADP 3PG | 0.54 | 0.835443 |
219 | ALF ADP 3PG | 0.54 | 0.835443 |
220 | 6K6 | 0.539326 | 0.957143 |
221 | IOT | 0.539216 | 0.829268 |
222 | LEU LMS | 0.538462 | 0.747126 |
223 | A3G | 0.538462 | 0.797297 |
224 | A5D | 0.535714 | 0.808219 |
225 | NAD IBO | 0.534653 | 0.916667 |
226 | 7MC | 0.534653 | 0.817073 |
227 | NAD TDB | 0.534653 | 0.916667 |
228 | YLA | 0.533981 | 0.817073 |
229 | T5A | 0.533981 | 0.817073 |
230 | ADJ | 0.533981 | 0.82716 |
231 | GSU | 0.532609 | 0.776471 |
232 | KAA | 0.532609 | 0.75 |
233 | 7RA | 0.531646 | 0.985507 |
234 | SFG | 0.53012 | 0.77027 |
235 | SAH | 0.529412 | 0.763158 |
236 | HFD | 0.529412 | 0.918919 |
237 | JSQ | 0.529412 | 0.918919 |
238 | AYB | 0.528846 | 0.807229 |
239 | CNA | 0.528846 | 0.905405 |
240 | N6P | 0.527473 | 0.942029 |
241 | 8BR | 0.525 | 0.931507 |
242 | F2R | 0.52381 | 0.839506 |
243 | 80F | 0.523364 | 0.817073 |
244 | Y3J | 0.521127 | 0.746479 |
245 | YSA | 0.520833 | 0.776471 |
246 | 7RP | 0.518987 | 0.955882 |
247 | NAD | 0.518868 | 0.930556 |
248 | BTX | 0.518868 | 0.839506 |
249 | COD | 0.518868 | 0.788235 |
250 | MHZ | 0.518072 | 0.714286 |
251 | SA8 | 0.517647 | 0.725 |
252 | 6AD | 0.517241 | 0.883117 |
253 | BT5 | 0.514019 | 0.829268 |
254 | DZD | 0.514019 | 0.858974 |
255 | RMB | 0.5125 | 0.898551 |
256 | CUU | 0.511905 | 0.943662 |
257 | SAI | 0.511628 | 0.753247 |
258 | AV2 | 0.511364 | 0.890411 |
259 | K2R | 0.510638 | 0.878378 |
260 | 8PZ | 0.510417 | 0.776471 |
261 | K3K | 0.510417 | 0.8 |
262 | A3D | 0.509259 | 0.917808 |
263 | A3S | 0.506024 | 0.808219 |
264 | 3AT | 0.505747 | 0.943662 |
265 | SAM | 0.505747 | 0.707317 |
266 | SMM | 0.505618 | 0.702381 |
267 | NA7 | 0.505376 | 0.931507 |
268 | B1U | 0.505155 | 0.733333 |
269 | AMP NAD | 0.504673 | 0.90411 |
270 | 4TA | 0.504673 | 0.804878 |
271 | 5GP | 0.5 | 0.905405 |
272 | EEM | 0.5 | 0.707317 |
273 | NEC | 0.5 | 0.743243 |
274 | NO7 | 0.5 | 0.905405 |
275 | G | 0.5 | 0.905405 |
276 | AAT | 0.5 | 0.725 |
277 | YLY | 0.495495 | 0.807229 |
278 | M24 | 0.495495 | 0.848101 |
279 | 7C5 | 0.494949 | 0.815789 |
280 | A3T | 0.494118 | 0.819444 |
281 | DAT | 0.494118 | 0.878378 |
282 | FAI | 0.493827 | 0.888889 |
283 | P2P | 0.493827 | 0.928571 |
284 | 1RB | 0.493671 | 0.911765 |
285 | NAE | 0.491071 | 0.893333 |
286 | D4F | 0.491071 | 0.8375 |
287 | NAJ PZO | 0.490909 | 0.846154 |
288 | KOY | 0.490196 | 0.8 |
289 | LQJ | 0.489796 | 0.916667 |
290 | TM1 | 0.489583 | 0.771084 |
291 | PO4 PO4 A A A A PO4 | 0.489362 | 0.901408 |
292 | A6D | 0.489362 | 0.740741 |
293 | QXP | 0.48913 | 0.761905 |
294 | V47 | 0.488889 | 0.780822 |
295 | S7M | 0.488889 | 0.707317 |
296 | DTP | 0.488636 | 0.878378 |
297 | RBZ | 0.4875 | 0.873239 |
298 | 101 | 0.4875 | 0.902778 |
299 | NWQ | 0.487179 | 0.736111 |
300 | EAD | 0.486957 | 0.848101 |
301 | NAQ | 0.486726 | 0.87013 |
302 | 4YB | 0.485149 | 0.758621 |
303 | K3E | 0.484848 | 0.789474 |
304 | NDE | 0.483051 | 0.931507 |
305 | 38V | 0.482456 | 0.860759 |
306 | N0B | 0.482456 | 0.817073 |
307 | ZID | 0.482456 | 0.917808 |
308 | N5O | 0.481481 | 0.76 |
309 | WSA | 0.480769 | 0.785714 |
310 | KL2 | 0.480519 | 0.861111 |
311 | RGT | 0.479592 | 0.931507 |
312 | ARU | 0.478723 | 0.835443 |
313 | GGZ | 0.478261 | 0.8 |
314 | JLN | 0.47561 | 0.863014 |
315 | ANZ | 0.475248 | 0.820513 |
316 | QQY | 0.475 | 0.837838 |
317 | ACK | 0.475 | 0.885714 |
318 | QXG | 0.473684 | 0.752941 |
319 | NAJ PYZ | 0.473684 | 0.804878 |
320 | S8M | 0.473118 | 0.779221 |
321 | AVV | 0.473118 | 0.87013 |
322 | GEK | 0.473118 | 0.734177 |
323 | 3AD | 0.472973 | 0.828571 |
324 | P1H | 0.470588 | 0.82716 |
325 | N5A | 0.46988 | 0.733333 |
326 | R2V | 0.46875 | 0.761905 |
327 | 0UM | 0.468085 | 0.716049 |
328 | RVP | 0.467532 | 0.847222 |
329 | 649 | 0.466667 | 0.741573 |
330 | Z5A | 0.465517 | 0.776471 |
331 | PMO | 0.464286 | 0.873239 |
332 | O05 | 0.463918 | 0.819277 |
333 | SXZ | 0.463918 | 0.707317 |
334 | 62X | 0.463158 | 0.682353 |
335 | K2H | 0.463158 | 0.753247 |
336 | QQX | 0.4625 | 0.826667 |
337 | KY2 | 0.462366 | 0.75 |
338 | 8Q2 | 0.462264 | 0.75 |
339 | OK8 | 0.461538 | 0.853333 |
340 | K2W | 0.46 | 0.7375 |
341 | 2VA | 0.45977 | 0.797297 |
342 | IMP | 0.458824 | 0.90411 |
343 | CC5 | 0.458333 | 0.84058 |
344 | K15 | 0.458333 | 0.698795 |
345 | AS | 0.457831 | 0.855263 |
346 | DDS | 0.455556 | 0.851351 |
347 | V1N | 0.455446 | 0.943662 |
348 | NJP | 0.454545 | 0.918919 |
349 | K38 | 0.454545 | 0.776316 |
350 | K2K | 0.453608 | 0.734177 |
351 | 7DD | 0.453488 | 0.957143 |
352 | G7M | 0.453488 | 0.87013 |
353 | 93A | 0.453488 | 0.804878 |
354 | 3D1 | 0.453333 | 0.77027 |
355 | 3L1 | 0.453333 | 0.77027 |
356 | KYB | 0.452632 | 0.75 |
357 | EO7 | 0.452381 | 0.785714 |
358 | NDC | 0.45082 | 0.87013 |
359 | FB0 | 0.45082 | 0.781609 |
360 | DZ4 | 0.450549 | 0.855263 |
361 | 0WD | 0.45045 | 0.894737 |
362 | NVA 2AD | 0.449438 | 0.75641 |
363 | 26A | 0.447368 | 0.76 |
364 | 2FA | 0.447368 | 0.810811 |
365 | 2BA | 0.447059 | 0.914286 |
366 | CMP | 0.447059 | 0.927536 |
367 | D3Y | 0.446809 | 0.786667 |
368 | K3H | 0.445545 | 0.746835 |
369 | VRT | 0.444444 | 0.766234 |
370 | APU | 0.444444 | 0.893333 |
371 | KB1 | 0.444444 | 0.716049 |
372 | KY5 | 0.444444 | 0.74359 |
373 | SO8 | 0.444444 | 0.786667 |
374 | FDA | 0.443548 | 0.809524 |
375 | PUA | 0.443478 | 0.858974 |
376 | ODP | 0.441441 | 0.883117 |
377 | 6FA | 0.44 | 0.817073 |
378 | NX8 | 0.43956 | 0.7125 |
379 | RP1 | 0.439024 | 0.864865 |
380 | SP1 | 0.439024 | 0.864865 |
381 | 103 | 0.439024 | 0.861111 |
382 | 3NZ | 0.438776 | 0.779221 |
383 | KY8 | 0.438776 | 0.746835 |
384 | 7DT | 0.438202 | 0.957143 |
385 | NDP | 0.436364 | 0.894737 |
386 | NPW | 0.436364 | 0.860759 |
387 | MTP | 0.434211 | 0.727273 |
388 | FAD | 0.433071 | 0.82716 |
389 | SFD | 0.433071 | 0.712766 |
390 | FAS | 0.433071 | 0.82716 |
391 | TXP | 0.432432 | 0.894737 |
392 | IRN | 0.432432 | 0.867647 |
393 | NZQ | 0.432432 | 0.883117 |
394 | ZZB | 0.432432 | 0.792683 |
395 | KYE | 0.431373 | 0.731707 |
396 | 62F | 0.430769 | 0.8375 |
397 | FNK | 0.430769 | 0.781609 |
398 | 128 | 0.429907 | 0.752941 |
399 | 9BG | 0.428571 | 0.87013 |
400 | KXW | 0.428571 | 0.725 |
401 | 6MD | 0.428571 | 0.805556 |
402 | PAX | 0.428571 | 0.82716 |
403 | 1DA | 0.428571 | 0.842857 |
404 | SLU | 0.426087 | 0.767442 |
405 | PLP AAD | 0.426087 | 0.75 |
406 | XNP | 0.424779 | 0.848101 |
407 | HZ2 | 0.424528 | 0.728395 |
408 | 12D | 0.424528 | 0.761905 |
409 | 5F1 | 0.423077 | 0.72973 |
410 | DCA | 0.422414 | 0.8 |
411 | ETB | 0.422414 | 0.809524 |
412 | NWZ | 0.422222 | 0.7 |
413 | F0P | 0.422018 | 0.725 |
414 | ERJ | 0.421687 | 0.777778 |
415 | WMP | 0.421053 | 0.864865 |
416 | GUO | 0.421053 | 0.864865 |
417 | OZP | 0.420561 | 0.725 |
418 | U4Y | 0.420561 | 0.734177 |
419 | HY8 | 0.416667 | 0.728395 |
420 | FAY | 0.416667 | 0.8375 |
421 | 38Y | 0.415929 | 0.804878 |
422 | 5J9 | 0.415842 | 0.728395 |
423 | NAD BBN | 0.415385 | 0.817073 |
424 | COA | 0.415254 | 0.8 |
425 | 0T1 | 0.415254 | 0.8 |
426 | KH3 | 0.415094 | 0.690476 |
427 | N01 | 0.413793 | 0.90411 |
428 | FMP | 0.413793 | 0.871429 |
429 | RFL | 0.413534 | 0.797619 |
430 | NMN AMP PO4 | 0.412281 | 0.868421 |
431 | NAD CJ3 | 0.409091 | 0.788235 |
432 | Q34 | 0.409091 | 0.690476 |
433 | Q2M | 0.409091 | 0.707317 |
434 | GDP | 0.408602 | 0.893333 |
435 | GP2 | 0.408602 | 0.858974 |
436 | NAP | 0.408333 | 0.944444 |
437 | NOC | 0.407895 | 0.760563 |
438 | CNV FAD | 0.407407 | 0.770115 |
439 | 2ER | 0.405941 | 0.831169 |
440 | 1PR | 0.405941 | 0.820513 |
441 | P5F | 0.405797 | 0.8 |
442 | CAO | 0.404959 | 0.772727 |
443 | 30N | 0.404959 | 0.731183 |
444 | TAP | 0.404959 | 0.906667 |
445 | COS | 0.404959 | 0.781609 |
446 | AMX | 0.404959 | 0.809524 |
447 | EU9 | 0.40367 | 0.681818 |
448 | XMP | 0.402299 | 0.891892 |
449 | G2P | 0.402062 | 0.858974 |
450 | NA0 | 0.401639 | 0.931507 |
451 | CMX | 0.401639 | 0.8 |
452 | SCO | 0.401639 | 0.8 |
453 | 9JJ | 0.40146 | 0.8375 |
454 | Q2P | 0.4 | 0.690476 |
455 | N37 | 0.4 | 0.730769 |
456 | F2N | 0.4 | 0.790698 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SIN | 1 | 1 |
2 | 3OH | 0.6 | 0.65 |
3 | SHF | 0.588235 | 0.684211 |
4 | SLP | 0.5625 | 0.6 |
5 | GUA | 0.5625 | 0.882353 |
6 | 0L1 | 0.5625 | 0.833333 |
7 | BUA | 0.5625 | 0.611111 |
8 | AKG | 0.526316 | 0.833333 |
9 | 2IT | 0.5 | 0.625 |
10 | MLA | 0.5 | 0.722222 |
11 | PML | 0.5 | 0.789474 |
12 | AZ1 | 0.473684 | 0.75 |
13 | SSN | 0.473684 | 0.866667 |
14 | OKG | 0.454545 | 0.7 |
15 | TCE | 0.45 | 0.625 |
16 | SHO | 0.428571 | 0.619048 |
17 | 9J3 | 0.416667 | 0.608696 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IRP | 0.9883 |
2 | DI | 0.9755 |
3 | 8OP | 0.9715 |
4 | IMU | 0.9698 |
5 | TKW | 0.9696 |
6 | MZP | 0.9690 |
7 | PFU | 0.9673 |
8 | 5FU | 0.9664 |
9 | DG | 0.9620 |
10 | 6MA | 0.9618 |
11 | 6CG | 0.9613 |
12 | U5P | 0.9607 |
13 | DGP | 0.9601 |
14 | PSU | 0.9555 |
15 | C5P | 0.9513 |
16 | FDM | 0.9499 |
17 | TMP | 0.9498 |
18 | 5BU | 0.9493 |
19 | QBT | 0.9492 |
20 | FNU | 0.9488 |
21 | 8GM | 0.9484 |
22 | UFP | 0.9484 |
23 | NYM | 0.9477 |
24 | 5HM | 0.9472 |
25 | 6OG | 0.9471 |
26 | 5CM | 0.9461 |
27 | 16B | 0.9451 |
28 | FN5 | 0.9442 |
29 | NCN | 0.9424 |
30 | C | 0.9418 |
31 | 9L3 | 0.9417 |
32 | Z8B | 0.9410 |
33 | UP6 | 0.9400 |
34 | NMN | 0.9397 |
35 | H2U | 0.9395 |
36 | ICR | 0.9389 |
37 | BMP | 0.9380 |
38 | UMP | 0.9373 |
39 | U | 0.9368 |
40 | BRU | 0.9365 |
41 | CH | 0.9364 |
42 | BMQ | 0.9360 |
43 | MTH | 0.9360 |
44 | 8OG | 0.9356 |
45 | MTM | 0.9347 |
46 | CNU | 0.9342 |
47 | MTI | 0.9342 |
48 | 6SW | 0.9342 |
49 | D4M | 0.9334 |
50 | 2DT | 0.9334 |
51 | UMC | 0.9304 |
52 | CAR | 0.9298 |
53 | 5IU | 0.9287 |
54 | 5HU | 0.9283 |
55 | O7E | 0.9281 |
56 | DCM | 0.9270 |
57 | KB7 | 0.9270 |
58 | DU | 0.9269 |
59 | DC | 0.9269 |
60 | NUP | 0.9238 |
61 | 7CH | 0.9219 |
62 | DDN | 0.9211 |
63 | MCF | 0.9205 |
64 | PCG | 0.9201 |
65 | O8M | 0.9197 |
66 | DUS | 0.9192 |
67 | U6M | 0.9180 |
68 | S5P | 0.9167 |
69 | DOC | 0.9149 |
70 | 3F5 | 0.9146 |
71 | 6SX | 0.9133 |
72 | U4S | 0.9101 |
73 | 35G | 0.9100 |
74 | N8M | 0.9089 |
75 | 6CN | 0.9083 |
76 | CDP | 0.9080 |
77 | T3S | 0.9079 |
78 | U1S | 0.9071 |
79 | MTE | 0.9067 |
80 | U2S | 0.9058 |
81 | DBM | 0.9053 |
82 | BVP | 0.9052 |
83 | 4X2 | 0.9040 |
84 | ATM | 0.9025 |
85 | SB8 | 0.9022 |
86 | INR | 0.9008 |
87 | UA2 | 0.9007 |
88 | A8M | 0.9006 |
89 | IMH | 0.9006 |
90 | TAL | 0.8998 |
91 | SSI | 0.8986 |
92 | U3S | 0.8983 |
93 | 1B6 | 0.8972 |
94 | 3Q1 | 0.8972 |
95 | TBN | 0.8968 |
96 | NOS | 0.8966 |
97 | IXF | 0.8952 |
98 | AD3 | 0.8932 |
99 | 1BJ | 0.8932 |
100 | SU1 | 0.8927 |
101 | 43J | 0.8924 |
102 | 6SY | 0.8920 |
103 | 9ZS | 0.8918 |
104 | IDP | 0.8918 |
105 | 6SZ | 0.8915 |
106 | JW5 | 0.8914 |
107 | OMP | 0.8905 |
108 | CC7 | 0.8903 |
109 | T7O | 0.8893 |
110 | 6AU | 0.8887 |
111 | PRH | 0.8871 |
112 | HPR | 0.8871 |
113 | 2GE | 0.8871 |
114 | 3Q2 | 0.8869 |
115 | FMC | 0.8862 |
116 | ARJ | 0.8861 |
117 | 9DI | 0.8859 |
118 | GNH | 0.8855 |
119 | 3Q0 | 0.8849 |
120 | GMP | 0.8848 |
121 | FMB | 0.8845 |
122 | 4EZ | 0.8839 |
123 | K8W | 0.8831 |
124 | UM3 | 0.8830 |
125 | MI1 | 0.8828 |
126 | 5ID | 0.8815 |
127 | NVV | 0.8812 |
128 | HDU | 0.8812 |
129 | 43G | 0.8808 |
130 | UDP | 0.8793 |
131 | CFE | 0.8793 |
132 | FTU | 0.8791 |
133 | HMK | 0.8787 |
134 | 5FD | 0.8778 |
135 | DN8 | 0.8777 |
136 | 72H | 0.8776 |
137 | 7CU | 0.8776 |
138 | 2OM | 0.8774 |
139 | CZV | 0.8771 |
140 | FSB | 0.8768 |
141 | HGH | 0.8760 |
142 | DOI | 0.8756 |
143 | 3BH | 0.8754 |
144 | XYP TRS XYP | 0.8748 |
145 | FGN | 0.8746 |
146 | 5NB | 0.8741 |
147 | LRT | 0.8737 |
148 | M7G | 0.8735 |
149 | NYZ | 0.8731 |
150 | 3RA | 0.8725 |
151 | MSS | 0.8719 |
152 | TXS | 0.8712 |
153 | 8OD | 0.8710 |
154 | S1Z | 0.8709 |
155 | 4ZK | 0.8706 |
156 | L0F | 0.8706 |
157 | IYX | 0.8702 |
158 | GOW | 0.8702 |
159 | EKH | 0.8698 |
160 | CQU | 0.8694 |
161 | KFS | 0.8692 |
162 | 0NL | 0.8691 |
163 | T3P | 0.8690 |
164 | F2B | 0.8690 |
165 | 4K9 | 0.8689 |
166 | PWH | 0.8686 |
167 | CL9 | 0.8686 |
168 | GQE | 0.8681 |
169 | P1S | 0.8676 |
170 | SNI | 0.8676 |
171 | 9ST | 0.8674 |
172 | GAR | 0.8673 |
173 | 566 | 0.8671 |
174 | DGI | 0.8669 |
175 | 9ME | 0.8666 |
176 | RVA | 0.8664 |
177 | H4H | 0.8662 |
178 | SBW | 0.8659 |
179 | 9W8 | 0.8653 |
180 | 2HW | 0.8653 |
181 | BSB | 0.8653 |
182 | GNG | 0.8644 |
183 | TDI | 0.8643 |
184 | MDR | 0.8641 |
185 | 6HW | 0.8634 |
186 | 460 | 0.8634 |
187 | T61 | 0.8631 |
188 | C1Y | 0.8627 |
189 | HLN | 0.8624 |
190 | 43H | 0.8621 |
191 | TYD | 0.8615 |
192 | IXE | 0.8613 |
193 | 66P | 0.8609 |
194 | I0D | 0.8609 |
195 | MG7 | 0.8608 |
196 | MHR | 0.8608 |
197 | JY5 | 0.8606 |
198 | 4UB | 0.8600 |
199 | CC2 | 0.8599 |
200 | JZJ | 0.8598 |
201 | F13 | 0.8595 |
202 | PDB | 0.8588 |
203 | 517 | 0.8585 |
204 | BHF | 0.8579 |
205 | IWH | 0.8576 |
206 | XYS AZI XYS | 0.8571 |
207 | 9X0 | 0.8566 |
208 | KKE | 0.8563 |
209 | 9RK | 0.8559 |
210 | VAL TRP | 0.8553 |
211 | 4F0 | 0.8553 |
212 | IYZ | 0.8549 |
213 | FKJ | 0.8547 |
214 | 361 | 0.8538 |
215 | E44 | 0.8526 |
216 | E3Y | 0.8504 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | FUM | 1.0000 |
2 | GAG | 1.0000 |
3 | BEZ | 1.0000 |
4 | MAE | 1.0000 |
5 | OAA | 1.0000 |
6 | H95 | 1.0000 |
7 | HX2 | 1.0000 |
8 | NMG | 1.0000 |
9 | 4MV | 0.9980 |
10 | OEG | 0.9902 |
11 | ASP | 0.9816 |
12 | URP | 0.9795 |
13 | MLT | 0.9789 |
14 | LEA | 0.9761 |
15 | LMR | 0.9760 |
16 | DYA | 0.9758 |
17 | COI | 0.9756 |
18 | OK7 | 0.9751 |
19 | UGC | 0.9747 |
20 | DQY | 0.9744 |
21 | CMS | 0.9733 |
22 | VKC | 0.9731 |
23 | SPA | 0.9714 |
24 | ASN | 0.9703 |
25 | 2RH | 0.9700 |
26 | ABU | 0.9690 |
27 | TEO | 0.9687 |
28 | IOM | 0.9677 |
29 | CRN | 0.9677 |
30 | GLY GLY | 0.9675 |
31 | ITN | 0.9673 |
32 | MLI | 0.9663 |
33 | 98J | 0.9641 |
34 | JYD | 0.9641 |
35 | DAS | 0.9637 |
36 | NXA | 0.9629 |
37 | PGA | 0.9615 |
38 | 0VT | 0.9612 |
39 | PG3 | 0.9608 |
40 | HTX | 0.9605 |
41 | DAV | 0.9590 |
42 | BUB | 0.9589 |
43 | LEU | 0.9583 |
44 | HDA | 0.9577 |
45 | ALO | 0.9575 |
46 | PRO | 0.9567 |
47 | GLU | 0.9556 |
48 | VAL | 0.9553 |
49 | KIV | 0.9552 |
50 | TFB | 0.9549 |
51 | AKB | 0.9549 |
52 | G3P | 0.9548 |
53 | 6NA | 0.9544 |
54 | 4JU | 0.9541 |
55 | FBJ | 0.9541 |
56 | 40E | 0.9541 |
57 | THR | 0.9539 |
58 | JZ5 | 0.9535 |
59 | IPU | 0.9528 |
60 | X1S | 0.9525 |
61 | IVA | 0.9523 |
62 | THE | 0.9520 |
63 | 1KA | 0.9517 |
64 | A8C | 0.9514 |
65 | DMG | 0.9511 |
66 | PCA | 0.9505 |
67 | 1GP | 0.9503 |
68 | 2MH | 0.9500 |
69 | P2D | 0.9498 |
70 | HSE | 0.9496 |
71 | 9X7 | 0.9489 |
72 | HZP | 0.9486 |
73 | PUT | 0.9484 |
74 | IQ0 | 0.9478 |
75 | 54D | 0.9473 |
76 | AAE | 0.9471 |
77 | UYA | 0.9467 |
78 | PAC | 0.9463 |
79 | ILE | 0.9461 |
80 | ETX | 0.9458 |
81 | T2C | 0.9453 |
82 | 3PP | 0.9451 |
83 | VAH | 0.9444 |
84 | AL0 | 0.9442 |
85 | MLM | 0.9442 |
86 | DAB | 0.9440 |
87 | MAK | 0.9439 |
88 | GLN | 0.9438 |
89 | DXX | 0.9437 |
90 | C21 | 0.9435 |
91 | 2RA | 0.9433 |
92 | 9X6 | 0.9432 |
93 | PAE | 0.9432 |
94 | NCA | 0.9430 |
95 | IZC | 0.9425 |
96 | 9YL | 0.9420 |
97 | BMD | 0.9417 |
98 | 2PC | 0.9415 |
99 | HYP | 0.9414 |
100 | PRS | 0.9413 |
101 | SRT | 0.9409 |
102 | GLL | 0.9408 |
103 | O8Y | 0.9408 |
104 | YIV | 0.9408 |
105 | K34 | 0.9407 |
106 | BEN | 0.9406 |
107 | UY7 | 0.9404 |
108 | DPR | 0.9403 |
109 | 2KT | 0.9401 |
110 | 4HA | 0.9401 |
111 | 273 | 0.9398 |
112 | 3HR | 0.9398 |
113 | MUC | 0.9397 |
114 | URO | 0.9397 |
115 | 69O | 0.9390 |
116 | 49F | 0.9389 |
117 | FQI | 0.9388 |
118 | TP5 | 0.9386 |
119 | 3HL | 0.9384 |
120 | HCS | 0.9382 |
121 | DSN | 0.9382 |
122 | BML | 0.9382 |
123 | 282 | 0.9381 |
124 | NVA | 0.9381 |
125 | IHG | 0.9381 |
126 | PAH | 0.9377 |
127 | 3PY | 0.9376 |
128 | FPI | 0.9376 |
129 | HSO | 0.9375 |
130 | NIO | 0.9374 |
131 | DGN | 0.9373 |
132 | TZC | 0.9370 |
133 | S0H | 0.9370 |
134 | 4CH | 0.9368 |
135 | SER | 0.9366 |
136 | HSM | 0.9364 |
137 | XAP | 0.9362 |
138 | 16D | 0.9362 |
139 | BXO | 0.9359 |
140 | SD4 | 0.9358 |
141 | 3SL | 0.9357 |
142 | PBC | 0.9357 |
143 | TAR | 0.9356 |
144 | 7WG | 0.9355 |
145 | MEQ | 0.9355 |
146 | AG2 | 0.9353 |
147 | ZBT | 0.9352 |
148 | BAM | 0.9347 |
149 | TLA | 0.9344 |
150 | SS2 | 0.9342 |
151 | A20 | 0.9342 |
152 | OPE | 0.9342 |
153 | DE5 | 0.9341 |
154 | ISZ | 0.9340 |
155 | HE2 | 0.9339 |
156 | QFH | 0.9339 |
157 | CCE | 0.9338 |
158 | TB6 | 0.9337 |
159 | SPV | 0.9334 |
160 | CFI | 0.9333 |
161 | CIZ | 0.9331 |
162 | JBN | 0.9328 |
163 | HBA | 0.9328 |
164 | PGH | 0.9327 |
165 | 1DU | 0.9326 |
166 | AC0 | 0.9325 |
167 | AHB | 0.9325 |
168 | PG0 | 0.9324 |
169 | 6PC | 0.9324 |
170 | CP | 0.9322 |
171 | C5J | 0.9319 |
172 | FOA | 0.9318 |
173 | BHH | 0.9317 |
174 | 3SS | 0.9314 |
175 | GGL | 0.9314 |
176 | SMB | 0.9314 |
177 | PAF | 0.9313 |
178 | SMV | 0.9313 |
179 | 13P | 0.9313 |
180 | 7N0 | 0.9311 |
181 | PE9 | 0.9311 |
182 | PEP | 0.9310 |
183 | 192 | 0.9310 |
184 | 7VD | 0.9310 |
185 | R2B | 0.9310 |
186 | BNS | 0.9307 |
187 | PHU | 0.9307 |
188 | LTL | 0.9307 |
189 | PYC | 0.9306 |
190 | EOU | 0.9305 |
191 | HIO | 0.9304 |
192 | QY9 | 0.9304 |
193 | ECE | 0.9301 |
194 | UNU | 0.9300 |
195 | M6W | 0.9299 |
196 | 2HG | 0.9299 |
197 | GG6 | 0.9299 |
198 | ACH | 0.9297 |
199 | ORN | 0.9295 |
200 | LNO | 0.9294 |
201 | A3B | 0.9293 |
202 | AC5 | 0.9293 |
203 | NTN | 0.9293 |
204 | 265 | 0.9293 |
205 | NIZ | 0.9292 |
206 | HL5 | 0.9291 |
207 | ABN | 0.9290 |
208 | AML | 0.9290 |
209 | 9ON | 0.9289 |
210 | R67 | 0.9288 |
211 | ROR | 0.9287 |
212 | FBM | 0.9286 |
213 | 23B | 0.9286 |
214 | F9P | 0.9284 |
215 | OCT | 0.9284 |
216 | 7BC | 0.9283 |
217 | M4T | 0.9283 |
218 | TZL | 0.9282 |
219 | NBN | 0.9282 |
220 | 5XA | 0.9281 |
221 | LLQ | 0.9278 |
222 | GP9 | 0.9277 |
223 | URQ | 0.9276 |
224 | RSO | 0.9276 |
225 | GLY ALA | 0.9274 |
226 | WTZ | 0.9273 |
227 | IP8 | 0.9272 |
228 | XBT | 0.9272 |
229 | TFS | 0.9271 |
230 | M58 | 0.9270 |
231 | BE7 | 0.9269 |
232 | BHO | 0.9267 |
233 | SKG | 0.9267 |
234 | PSE | 0.9267 |
235 | ZGL | 0.9264 |
236 | BUQ | 0.9263 |
237 | ONL | 0.9262 |
238 | CYS | 0.9262 |
239 | 14J | 0.9262 |
240 | BP9 | 0.9262 |
241 | 2CO | 0.9260 |
242 | RBL | 0.9259 |
243 | QSC | 0.9258 |
244 | SAT | 0.9256 |
245 | PZA | 0.9254 |
246 | N6C | 0.9253 |
247 | I4B | 0.9253 |
248 | MPD | 0.9251 |
249 | BAL | 0.9249 |
250 | TPA | 0.9248 |
251 | DGL | 0.9246 |
252 | 3S5 | 0.9246 |
253 | PZI | 0.9245 |
254 | EHM | 0.9245 |
255 | DE2 | 0.9244 |
256 | G3H | 0.9243 |
257 | FEH | 0.9242 |
258 | MTD | 0.9240 |
259 | SS1 | 0.9238 |
260 | DGY | 0.9238 |
261 | 03W | 0.9238 |
262 | LER | 0.9237 |
263 | 23W | 0.9237 |
264 | 2IM | 0.9236 |
265 | 4VP | 0.9234 |
266 | ICF | 0.9231 |
267 | HYA | 0.9230 |
268 | LG4 | 0.9230 |
269 | 1DQ | 0.9229 |
270 | HIU | 0.9228 |
271 | PPR | 0.9226 |
272 | HQE | 0.9225 |
273 | URS | 0.9223 |
274 | S2G | 0.9223 |
275 | NBZ | 0.9222 |
276 | SHV | 0.9221 |
277 | YCP | 0.9216 |
278 | 5FX | 0.9214 |
279 | 2AS | 0.9214 |
280 | 1SP | 0.9214 |
281 | PLQ | 0.9214 |
282 | MRZ | 0.9213 |
283 | QDK | 0.9212 |
284 | FW5 | 0.9211 |
285 | PKU | 0.9209 |
286 | XYL | 0.9208 |
287 | RB0 | 0.9208 |
288 | RB5 | 0.9208 |
289 | HAI | 0.9206 |
290 | 1SH | 0.9206 |
291 | 9TY | 0.9205 |
292 | HP6 | 0.9204 |
293 | 129 | 0.9203 |
294 | MSF | 0.9203 |
295 | CXF | 0.9203 |
296 | FPY | 0.9200 |
297 | GJZ | 0.9200 |
298 | IXW | 0.9200 |
299 | HBX | 0.9197 |
300 | 266 | 0.9195 |
301 | VGL | 0.9195 |
302 | MRY | 0.9195 |
303 | PEQ | 0.9194 |
304 | 3V4 | 0.9193 |
305 | AMC | 0.9193 |
306 | PPV | 0.9192 |
307 | 1PT | 0.9192 |
308 | DSS | 0.9190 |
309 | I1E | 0.9189 |
310 | HIS | 0.9189 |
311 | 3BB | 0.9188 |
312 | 1AC | 0.9188 |
313 | XUL | 0.9187 |
314 | 1SA | 0.9186 |
315 | PCR | 0.9186 |
316 | NBE | 0.9186 |
317 | PCT | 0.9184 |
318 | OGA | 0.9182 |
319 | DBB | 0.9182 |
320 | MZ0 | 0.9182 |
321 | C2N | 0.9179 |
322 | C2B | 0.9179 |
323 | ABA | 0.9178 |
324 | IDM | 0.9177 |
325 | HUI | 0.9177 |
326 | R9M | 0.9176 |
327 | DCY | 0.9176 |
328 | PXY | 0.9176 |
329 | 0V5 | 0.9175 |
330 | CYX | 0.9175 |
331 | KMH | 0.9173 |
332 | 4JL | 0.9172 |
333 | FLA | 0.9170 |
334 | SYN | 0.9169 |
335 | PYJ | 0.9168 |
336 | JAB | 0.9166 |
337 | AC6 | 0.9162 |
338 | FPN | 0.9161 |
339 | 8EW | 0.9160 |
340 | XLS | 0.9160 |
341 | FBA | 0.9160 |
342 | CXL | 0.9158 |
343 | PY7 | 0.9158 |
344 | 3OL | 0.9157 |
345 | 3OM | 0.9157 |
346 | 4LR | 0.9156 |
347 | XRG | 0.9155 |
348 | NPO | 0.9151 |
349 | JZ7 | 0.9151 |
350 | B24 | 0.9149 |
351 | HY1 | 0.9148 |
352 | DA1 | 0.9146 |
353 | TAU | 0.9145 |
354 | DTL | 0.9142 |
355 | APY | 0.9141 |
356 | 7A8 | 0.9141 |
357 | HVQ | 0.9140 |
358 | 4HS | 0.9139 |
359 | RNS | 0.9137 |
360 | FSG | 0.9137 |
361 | 6JN | 0.9134 |
362 | CEJ | 0.9134 |
363 | CSS | 0.9131 |
364 | PIS | 0.9129 |
365 | FAN | 0.9129 |
366 | FCN | 0.9129 |
367 | TIU | 0.9128 |
368 | GZ3 | 0.9128 |
369 | URF | 0.9127 |
370 | PHB | 0.9127 |
371 | 1DV | 0.9125 |
372 | DMV | 0.9124 |
373 | MZW | 0.9124 |
374 | SNE | 0.9123 |
375 | LDU | 0.9122 |
376 | PEA | 0.9121 |
377 | DCL | 0.9121 |
378 | 25R | 0.9120 |
379 | ITU | 0.9119 |
380 | PPF | 0.9119 |
381 | PRI | 0.9118 |
382 | KG7 | 0.9116 |
383 | 39J | 0.9116 |
384 | NLE | 0.9116 |
385 | 3HG | 0.9113 |
386 | CHT | 0.9113 |
387 | 7CL | 0.9111 |
388 | 1MR | 0.9108 |
389 | PEL | 0.9106 |
390 | EDG | 0.9106 |
391 | XM0 | 0.9103 |
392 | 5BR | 0.9103 |
393 | 3OC | 0.9101 |
394 | PAB | 0.9099 |
395 | CYH | 0.9099 |
396 | R1X | 0.9098 |
397 | AOA | 0.9096 |
398 | IT2 | 0.9096 |
399 | 271 | 0.9095 |
400 | SGL | 0.9092 |
401 | 280 | 0.9092 |
402 | GBD | 0.9091 |
403 | HBD | 0.9091 |
404 | 3HB | 0.9089 |
405 | HY3 | 0.9088 |
406 | WBU | 0.9088 |
407 | OXQ | 0.9084 |
408 | POA | 0.9083 |
409 | 60P | 0.9083 |
410 | GPJ | 0.9083 |
411 | GPF | 0.9083 |
412 | RNT | 0.9080 |
413 | GAB | 0.9080 |
414 | SEP | 0.9080 |
415 | COM | 0.9079 |
416 | P72 | 0.9079 |
417 | MET | 0.9075 |
418 | ACA | 0.9074 |
419 | OHG | 0.9072 |
420 | BU4 | 0.9070 |
421 | FMS | 0.9070 |
422 | 8X3 | 0.9070 |
423 | KMT | 0.9067 |
424 | MED | 0.9067 |
425 | KVV | 0.9059 |
426 | TZE | 0.9059 |
427 | WCE | 0.9055 |
428 | MEU | 0.9054 |
429 | 1Y6 | 0.9053 |
430 | 4JN | 0.9053 |
431 | KPL | 0.9052 |
432 | FB2 | 0.9050 |
433 | BTL | 0.9050 |
434 | JAE | 0.9050 |
435 | PMB | 0.9048 |
436 | J9N | 0.9047 |
437 | M3H | 0.9046 |
438 | J1Z | 0.9046 |
439 | MTG | 0.9044 |
440 | 8K2 | 0.9040 |
441 | 4CS | 0.9039 |
442 | I2M | 0.9038 |
443 | 3NT | 0.9038 |
444 | IMR | 0.9037 |
445 | XPO | 0.9037 |
446 | 3AB | 0.9037 |
447 | PLU | 0.9036 |
448 | CHH | 0.9035 |
449 | 5HN | 0.9035 |
450 | ODV | 0.9035 |
451 | BZX | 0.9033 |
452 | 25T | 0.9033 |
453 | 3LR | 0.9033 |
454 | A2Q | 0.9032 |
455 | NM2 | 0.9029 |
456 | NM3 | 0.9029 |
457 | POP | 0.9028 |
458 | V1L | 0.9027 |
459 | NVI | 0.9026 |
460 | PYF | 0.9026 |
461 | 8GC | 0.9024 |
462 | PBZ | 0.9024 |
463 | 826 | 0.9023 |
464 | 53C | 0.9023 |
465 | 4SD | 0.9018 |
466 | ISU | 0.9018 |
467 | IPH | 0.9017 |
468 | CCU | 0.9015 |
469 | OVV | 0.9015 |
470 | J9T | 0.9010 |
471 | HV2 | 0.9010 |
472 | DTU | 0.9007 |
473 | P7I | 0.9006 |
474 | ABV | 0.9006 |
475 | PIY | 0.9006 |
476 | 9SB | 0.9004 |
477 | 9RW | 0.9002 |
478 | SAR | 0.9002 |
479 | CCD | 0.9001 |
480 | BHL | 0.8999 |
481 | NF3 | 0.8996 |
482 | 5AC | 0.8994 |
483 | DPF | 0.8993 |
484 | M45 | 0.8993 |
485 | 4MA | 0.8993 |
486 | BVG | 0.8992 |
487 | SMN | 0.8992 |
488 | CEE | 0.8992 |
489 | FOC | 0.8992 |
490 | MXN | 0.8991 |
491 | EFS | 0.8991 |
492 | ICC | 0.8988 |
493 | 1AB | 0.8988 |
494 | K7M | 0.8988 |
495 | GOJ | 0.8988 |
496 | 14O | 0.8987 |
497 | F60 | 0.8986 |
498 | 4XR | 0.8985 |
499 | 2HA | 0.8985 |
500 | JZ9 | 0.8984 |
501 | 2HE | 0.8983 |
502 | 2EH | 0.8980 |
503 | 650 | 0.8979 |
504 | PIM | 0.8978 |
505 | SC2 | 0.8977 |
506 | 5H1 | 0.8975 |
507 | 3BZ | 0.8973 |
508 | IOL | 0.8971 |
509 | MNN | 0.8971 |
510 | 0CT | 0.8970 |
511 | BZF | 0.8969 |
512 | 2K4 | 0.8967 |
513 | PZM | 0.8967 |
514 | HMH | 0.8966 |
515 | 2FT | 0.8966 |
516 | BVC | 0.8962 |
517 | 6AI | 0.8962 |
518 | PC | 0.8961 |
519 | 2PN | 0.8959 |
520 | ETM | 0.8959 |
521 | 9CL | 0.8958 |
522 | 1MC | 0.8958 |
523 | HPN | 0.8957 |
524 | SW7 | 0.8957 |
525 | BZI | 0.8957 |
526 | URA | 0.8957 |
527 | RMN | 0.8956 |
528 | 4P5 | 0.8956 |
529 | FJO | 0.8955 |
530 | EGD | 0.8949 |
531 | Z82 | 0.8946 |
532 | 1P3 | 0.8945 |
533 | DEN | 0.8945 |
534 | 5MI | 0.8943 |
535 | HDH | 0.8943 |
536 | BRT | 0.8942 |
537 | 1DH | 0.8942 |
538 | FUL | 0.8942 |
539 | DYT | 0.8941 |
540 | 4SV | 0.8939 |
541 | IDH | 0.8938 |
542 | 1DJ | 0.8938 |
543 | K6H | 0.8937 |
544 | LXC | 0.8937 |
545 | 6M4 | 0.8932 |
546 | RSF | 0.8932 |
547 | IND | 0.8932 |
548 | LZ1 | 0.8929 |
549 | ARB | 0.8927 |
550 | XYP | 0.8926 |
551 | H8N | 0.8925 |
552 | JFJ | 0.8923 |
553 | O7U | 0.8923 |
554 | 717 | 0.8921 |
555 | 3GR | 0.8921 |
556 | KOJ | 0.8920 |
557 | FCR | 0.8919 |
558 | N4B | 0.8919 |
559 | SAL | 0.8919 |
560 | 5MB | 0.8918 |
561 | 4HO | 0.8918 |
562 | 51F | 0.8916 |
563 | 7MU | 0.8916 |
564 | 174 | 0.8916 |
565 | BAE | 0.8915 |
566 | 0MK | 0.8914 |
567 | GOL | 0.8911 |
568 | 2EZ | 0.8910 |
569 | XYS | 0.8910 |
570 | 24B | 0.8909 |
571 | 4JP | 0.8909 |
572 | 3U4 | 0.8909 |
573 | HPV | 0.8909 |
574 | 45L | 0.8904 |
575 | NMJ | 0.8904 |
576 | HPY | 0.8904 |
577 | 069 | 0.8902 |
578 | TH7 | 0.8901 |
579 | MCT | 0.8893 |
580 | IP0 | 0.8892 |
581 | GRO | 0.8891 |
582 | 258 | 0.8890 |
583 | BE2 | 0.8890 |
584 | PMF | 0.8889 |
585 | S8V | 0.8889 |
586 | BNF | 0.8888 |
587 | TH0 | 0.8888 |
588 | TDR | 0.8887 |
589 | 0R1 | 0.8887 |
590 | HHI | 0.8887 |
591 | RTK | 0.8887 |
592 | DHI | 0.8887 |
593 | 2MI | 0.8886 |
594 | MDN | 0.8885 |
595 | SAN | 0.8884 |
596 | AX7 | 0.8883 |
597 | HPS | 0.8883 |
598 | 3PG | 0.8883 |
599 | 3SK | 0.8881 |
600 | 3QM | 0.8880 |
601 | DS0 | 0.8879 |
602 | G2H | 0.8878 |
603 | RIP | 0.8878 |
604 | 2TQ | 0.8877 |
605 | 4JM | 0.8877 |
606 | AT3 | 0.8876 |
607 | 2CK | 0.8875 |
608 | IFM | 0.8875 |
609 | 270 | 0.8872 |
610 | GVH | 0.8872 |
611 | CRS | 0.8870 |
612 | 4ZA | 0.8868 |
613 | PBE | 0.8867 |
614 | ZZT | 0.8867 |
615 | MPI | 0.8866 |
616 | OTR | 0.8865 |
617 | 4WL | 0.8864 |
618 | PRA | 0.8864 |
619 | RUU | 0.8863 |
620 | HYN | 0.8860 |
621 | 11S | 0.8859 |
622 | HGQ | 0.8859 |
623 | 4JT | 0.8857 |
624 | NK | 0.8857 |
625 | 8EZ | 0.8856 |
626 | SME | 0.8856 |
627 | OEM | 0.8854 |
628 | XBZ | 0.8853 |
629 | 93B | 0.8852 |
630 | ALA ALA | 0.8851 |
631 | MWM | 0.8849 |
632 | PO6 | 0.8849 |
633 | HGA | 0.8846 |
634 | GXV | 0.8846 |
635 | DHS | 0.8845 |
636 | FYU | 0.8844 |
637 | 173 | 0.8843 |
638 | ES6 | 0.8842 |
639 | KVP | 0.8841 |
640 | TSU | 0.8837 |
641 | VX | 0.8837 |
642 | DMJ | 0.8836 |
643 | 40O | 0.8836 |
644 | IFL | 0.8835 |
645 | B40 | 0.8835 |
646 | 3YP | 0.8833 |
647 | DFU | 0.8832 |
648 | MYQ | 0.8832 |
649 | 4ZE | 0.8829 |
650 | NPY | 0.8827 |
651 | KTA | 0.8826 |
652 | 8GL | 0.8825 |
653 | TMH | 0.8823 |
654 | JKE | 0.8822 |
655 | 3ID | 0.8820 |
656 | DAL DAL | 0.8818 |
657 | ES9 | 0.8818 |
658 | BBU | 0.8817 |
659 | 284 | 0.8816 |
660 | J0Z | 0.8815 |
661 | FK8 | 0.8815 |
662 | TIH | 0.8813 |
663 | DHB | 0.8813 |
664 | 275 | 0.8813 |
665 | VNJ | 0.8813 |
666 | MNM | 0.8812 |
667 | 7WV | 0.8810 |
668 | JB5 | 0.8809 |
669 | 7EX | 0.8809 |
670 | FBW | 0.8806 |
671 | MZG | 0.8805 |
672 | HT4 | 0.8805 |
673 | 1WD | 0.8805 |
674 | 449 | 0.8805 |
675 | FBS | 0.8805 |
676 | 2YU | 0.8804 |
677 | L60 | 0.8804 |
678 | FUC | 0.8803 |
679 | 264 | 0.8803 |
680 | OSE | 0.8803 |
681 | 8OZ | 0.8802 |
682 | MLE | 0.8802 |
683 | Z6J | 0.8802 |
684 | 03V | 0.8801 |
685 | 4A3 | 0.8801 |
686 | QMP | 0.8801 |
687 | 26D | 0.8800 |
688 | 2AC | 0.8798 |
689 | JZ3 | 0.8798 |
690 | COU | 0.8797 |
691 | H4N | 0.8796 |
692 | 0OC | 0.8796 |
693 | YRL | 0.8795 |
694 | CNL | 0.8795 |
695 | DIR | 0.8794 |
696 | SYC | 0.8794 |
697 | 0R0 | 0.8793 |
698 | 2AQ | 0.8792 |
699 | NCT | 0.8792 |
700 | INO | 0.8790 |
701 | FK1 | 0.8790 |
702 | OCH | 0.8788 |
703 | QUZ | 0.8788 |
704 | 8H8 | 0.8788 |
705 | RBJ | 0.8786 |
706 | GXE | 0.8784 |
707 | HMU | 0.8784 |
708 | 4NC | 0.8784 |
709 | F05 | 0.8783 |
710 | AAS | 0.8782 |
711 | RP7 | 0.8782 |
712 | AZF | 0.8781 |
713 | TAY | 0.8781 |
714 | 5JC | 0.8780 |
715 | FAC | 0.8779 |
716 | ICN | 0.8778 |
717 | 2MP | 0.8778 |
718 | NNO | 0.8777 |
719 | TM7 | 0.8777 |
720 | 4J8 | 0.8776 |
721 | XYD | 0.8774 |
722 | DMD | 0.8771 |
723 | ARA | 0.8770 |
724 | 5UC | 0.8769 |
725 | OXZ | 0.8768 |
726 | MBN | 0.8767 |
727 | 4FA | 0.8767 |
728 | 34A | 0.8766 |
729 | QOS | 0.8765 |
730 | A1U | 0.8765 |
731 | AGK | 0.8764 |
732 | XIX | 0.8764 |
733 | 9TW | 0.8764 |
734 | 51R | 0.8764 |
735 | LYS | 0.8764 |
736 | ES5 | 0.8763 |
737 | 6M9 | 0.8762 |
738 | ABE | 0.8761 |
739 | CRD | 0.8760 |
740 | K2T | 0.8760 |
741 | B85 | 0.8760 |
742 | L3Q | 0.8759 |
743 | P9P | 0.8758 |
744 | TYL | 0.8756 |
745 | FHB | 0.8755 |
746 | NSP | 0.8755 |
747 | 64K | 0.8754 |
748 | 24T | 0.8753 |
749 | 152 | 0.8751 |
750 | 9A7 | 0.8751 |
751 | 3AP | 0.8749 |
752 | TMZ | 0.8749 |
753 | ICP | 0.8748 |
754 | PYD | 0.8748 |
755 | 93K | 0.8746 |
756 | P92 | 0.8745 |
757 | 5MH | 0.8745 |
758 | 3HM | 0.8743 |
759 | HCI | 0.8743 |
760 | XX2 | 0.8742 |
761 | DUC | 0.8741 |
762 | AHR | 0.8739 |
763 | MWJ | 0.8737 |
764 | 4CL | 0.8736 |
765 | 2AL | 0.8733 |
766 | 4JJ | 0.8733 |
767 | 278 | 0.8733 |
768 | 2PG | 0.8733 |
769 | AEF | 0.8732 |
770 | WOT | 0.8730 |
771 | 4FS | 0.8728 |
772 | 43M | 0.8728 |
773 | 286 | 0.8727 |
774 | MSE | 0.8727 |
775 | 5XB | 0.8727 |
776 | 2HO | 0.8726 |
777 | A09 | 0.8724 |
778 | JZ1 | 0.8724 |
779 | 4AP | 0.8724 |
780 | NCM | 0.8723 |
781 | JLZ | 0.8723 |
782 | RUJ | 0.8722 |
783 | 3AL | 0.8722 |
784 | 4HP | 0.8722 |
785 | 2AP | 0.8720 |
786 | GVG | 0.8720 |
787 | RCO | 0.8720 |
788 | SYG | 0.8719 |
789 | OHP | 0.8716 |
790 | MMU | 0.8713 |
791 | RIB | 0.8711 |
792 | QSB | 0.8711 |
793 | JZ2 | 0.8711 |
794 | H42 | 0.8711 |
795 | MYJ | 0.8710 |
796 | 8NY | 0.8710 |
797 | 5HY | 0.8708 |
798 | SOR | 0.8707 |
799 | HRZ | 0.8705 |
800 | ET2 | 0.8704 |
801 | H3M | 0.8702 |
802 | 3HP | 0.8700 |
803 | 261 | 0.8700 |
804 | FA0 | 0.8700 |
805 | R9S | 0.8697 |
806 | 3CL | 0.8697 |
807 | CHB | 0.8696 |
808 | IHB | 0.8695 |
809 | DOB | 0.8691 |
810 | 9PO | 0.8691 |
811 | BR9 | 0.8688 |
812 | 13D | 0.8688 |
813 | 27Y | 0.8687 |
814 | BHA | 0.8686 |
815 | HQJ | 0.8685 |
816 | IWT | 0.8683 |
817 | HVK | 0.8682 |
818 | 5OB | 0.8680 |
819 | 285 | 0.8680 |
820 | RUY | 0.8678 |
821 | GIF | 0.8675 |
822 | DAL | 0.8675 |
823 | RHU | 0.8675 |
824 | HX3 | 0.8671 |
825 | L5V | 0.8670 |
826 | 3Q7 | 0.8668 |
827 | TLD | 0.8667 |
828 | FUF | 0.8667 |
829 | 4M0 | 0.8667 |
830 | MAH | 0.8664 |
831 | 3CH | 0.8657 |
832 | LG3 | 0.8656 |
833 | 5CU | 0.8655 |
834 | 4XX | 0.8654 |
835 | CYT | 0.8651 |
836 | C2A | 0.8651 |
837 | IUR | 0.8650 |
838 | 8CL | 0.8646 |
839 | YHO | 0.8646 |
840 | R8A | 0.8637 |
841 | BZ3 | 0.8636 |
842 | D2P | 0.8635 |
843 | RAT | 0.8631 |
844 | 6TZ | 0.8629 |
845 | 4JO | 0.8626 |
846 | DGJ | 0.8624 |
847 | 5XC | 0.8621 |
848 | FBV | 0.8620 |
849 | HC4 | 0.8619 |
850 | Y8I | 0.8619 |
851 | 4DX | 0.8618 |
852 | TMT | 0.8615 |
853 | KYD | 0.8609 |
854 | E5X | 0.8604 |
855 | FB1 | 0.8603 |
856 | 1P8 | 0.8603 |
857 | LGA | 0.8600 |
858 | 3HA | 0.8599 |
859 | 1LN | 0.8597 |
860 | PHE | 0.8591 |
861 | DBH | 0.8589 |
862 | OXL | 0.8584 |
863 | TTO | 0.8582 |
864 | ANN | 0.8582 |
865 | PYR | 0.8579 |
866 | 2LP | 0.8576 |
867 | HX4 | 0.8572 |
868 | 0TR | 0.8568 |
869 | L99 | 0.8561 |
870 | 9EW | 0.8549 |
871 | JZ4 | 0.8547 |
872 | NOY | 0.8541 |
873 | 36Y | 0.8540 |
874 | 3PF | 0.8539 |
875 | ETF | 0.8533 |
876 | G4D | 0.8507 |
This union binding pocket(no: 1) in the query (biounit: 5jda.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5jda.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |