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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 6PIT | - | EST | C18 H24 O2 | C[C@]12CC[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 6PIT | - | EST | C18 H24 O2 | C[C@]12CC[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EST | 1 | 1 |
2 | ECS | 0.626866 | 0.916667 |
3 | ESL | 0.614286 | 0.916667 |
4 | ESM | 0.597222 | 0.868421 |
5 | ESZ | 0.597222 | 0.837838 |
6 | 6WV | 0.582278 | 0.738095 |
7 | 6WW | 0.582278 | 0.608696 |
8 | J3Z | 0.56338 | 0.882353 |
9 | HE7 | 0.547619 | 0.846154 |
10 | 3WF | 0.546667 | 0.942857 |
11 | 6WM | 0.518072 | 0.885714 |
12 | 7FQ | 0.505882 | 0.794872 |
13 | E2B | 0.467391 | 0.688889 |
14 | 7EE | 0.465909 | 0.75 |
15 | 6WN | 0.45977 | 0.763158 |
16 | 7FR | 0.454545 | 0.622222 |
17 | EED | 0.451219 | 0.785714 |
18 | EZT | 0.412371 | 0.825 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | EQU | 0.9958 |
2 | 6VW | 0.9889 |
3 | ESR | 0.9809 |
4 | 17M | 0.9781 |
5 | AOM | 0.9751 |
6 | DHT | 0.9681 |
7 | CUE | 0.9638 |
8 | AOI | 0.9629 |
9 | AOX | 0.9595 |
10 | R18 | 0.9594 |
11 | 5SD | 0.9586 |
12 | TES | 0.9542 |
13 | ASD | 0.9528 |
14 | AND | 0.9445 |
15 | 7G0 | 0.9365 |
16 | NQ8 | 0.9341 |
17 | AON | 0.9334 |
18 | 1DR | 0.9323 |
19 | CX6 | 0.9304 |
20 | 397 | 0.9281 |
21 | PIQ | 0.9268 |
22 | EES | 0.9266 |
23 | 17H | 0.9251 |
24 | ANB | 0.9225 |
25 | 272 | 0.9223 |
26 | 789 | 0.9220 |
27 | 1V4 | 0.9219 |
28 | 18E | 0.9214 |
29 | 9CE | 0.9197 |
30 | GEN | 0.9174 |
31 | 0OK | 0.9168 |
32 | IXM | 0.9165 |
33 | STR | 0.9155 |
34 | 1YL | 0.9152 |
35 | 801 | 0.9152 |
36 | 0UL | 0.9145 |
37 | 4AU | 0.9145 |
38 | 1V3 | 0.9136 |
39 | 20D | 0.9134 |
40 | PRL | 0.9131 |
41 | 8SK | 0.9126 |
42 | M3F | 0.9126 |
43 | 1V1 | 0.9125 |
44 | NDR | 0.9119 |
45 | 0FR | 0.9116 |
46 | A73 | 0.9110 |
47 | 1HP | 0.9105 |
48 | Q0K | 0.9099 |
49 | 5OR | 0.9097 |
50 | 40N | 0.9093 |
51 | 0NJ | 0.9092 |
52 | YZ9 | 0.9089 |
53 | NDD | 0.9081 |
54 | LIG | 0.9080 |
55 | DX2 | 0.9080 |
56 | 47X | 0.9075 |
57 | DFL | 0.9073 |
58 | G2V | 0.9073 |
59 | PLO | 0.9065 |
60 | 6BK | 0.9057 |
61 | NEU | 0.9055 |
62 | RHN | 0.9055 |
63 | BRY | 0.9047 |
64 | CR4 | 0.9045 |
65 | 4CN | 0.9043 |
66 | 2J1 | 0.9042 |
67 | ZTW | 0.9036 |
68 | L2K | 0.9036 |
69 | IQZ | 0.9034 |
70 | WV7 | 0.9034 |
71 | NRA | 0.9032 |
72 | AP6 | 0.9028 |
73 | 0DF | 0.9023 |
74 | RSV | 0.9021 |
75 | 7EH | 0.9016 |
76 | 6DQ | 0.9015 |
77 | 6ZE | 0.9011 |
78 | 4NR | 0.9008 |
79 | 5XL | 0.8999 |
80 | 124 | 0.8999 |
81 | X2M | 0.8994 |
82 | 25F | 0.8993 |
83 | OPA | 0.8989 |
84 | JF8 | 0.8988 |
85 | IQW | 0.8987 |
86 | F40 | 0.8986 |
87 | II4 | 0.8982 |
88 | ZSP | 0.8979 |
89 | 7L4 | 0.8979 |
90 | 120 | 0.8978 |
91 | OLU | 0.8976 |
92 | 39Z | 0.8975 |
93 | 2QU | 0.8974 |
94 | DX7 | 0.8973 |
95 | K7H | 0.8967 |
96 | CMP | 0.8965 |
97 | 5AD | 0.8964 |
98 | 5VU | 0.8962 |
99 | LFN | 0.8962 |
100 | OTA | 0.8961 |
101 | HRD | 0.8961 |
102 | 6FB | 0.8959 |
103 | 3D8 | 0.8957 |
104 | XYP XYP | 0.8956 |
105 | 1V8 | 0.8950 |
106 | AXX | 0.8946 |
107 | LUM | 0.8945 |
108 | 3F4 | 0.8945 |
109 | AQN | 0.8943 |
110 | FSE | 0.8943 |
111 | RGK | 0.8937 |
112 | VUP | 0.8937 |
113 | 27F | 0.8936 |
114 | SZ5 | 0.8934 |
115 | BIO | 0.8934 |
116 | ADN | 0.8933 |
117 | 2WU | 0.8925 |
118 | BMZ | 0.8924 |
119 | NKI | 0.8924 |
120 | 7FZ | 0.8923 |
121 | 1FL | 0.8922 |
122 | 2GQ | 0.8922 |
123 | 1XS | 0.8918 |
124 | 3SU | 0.8916 |
125 | 4ZF | 0.8916 |
126 | AO | 0.8915 |
127 | XYS XYS | 0.8912 |
128 | KP2 | 0.8910 |
129 | M3W | 0.8908 |
130 | 833 | 0.8907 |
131 | 2PV | 0.8906 |
132 | WLH | 0.8904 |
133 | MBT | 0.8903 |
134 | XYS XYP | 0.8903 |
135 | AZN | 0.8901 |
136 | Z21 | 0.8901 |
137 | WG8 | 0.8898 |
138 | 6QT | 0.8898 |
139 | IDZ | 0.8894 |
140 | Q8G | 0.8893 |
141 | 5ER | 0.8892 |
142 | EMO | 0.8890 |
143 | 2P3 | 0.8889 |
144 | 2PK | 0.8886 |
145 | P4L | 0.8884 |
146 | DX8 | 0.8881 |
147 | D9Z | 0.8881 |
148 | 122 | 0.8880 |
149 | NEO | 0.8880 |
150 | 79X | 0.8880 |
151 | 0LA | 0.8877 |
152 | BXS | 0.8875 |
153 | 3WL | 0.8874 |
154 | 1EL | 0.8872 |
155 | 6WL | 0.8871 |
156 | 5SJ | 0.8871 |
157 | E1K | 0.8870 |
158 | 3UG | 0.8869 |
159 | QNM | 0.8868 |
160 | JRO | 0.8867 |
161 | 28A | 0.8867 |
162 | E6Q | 0.8864 |
163 | H4B | 0.8864 |
164 | A05 | 0.8863 |
165 | HH6 | 0.8860 |
166 | 2QV | 0.8860 |
167 | QS4 | 0.8855 |
168 | C4E | 0.8855 |
169 | JOB | 0.8854 |
170 | 19E | 0.8853 |
171 | HRM | 0.8853 |
172 | 38E | 0.8851 |
173 | LI7 | 0.8851 |
174 | S98 | 0.8850 |
175 | YE6 | 0.8850 |
176 | DY9 | 0.8849 |
177 | AGI | 0.8848 |
178 | FFA | 0.8848 |
179 | A9B | 0.8845 |
180 | C0V | 0.8844 |
181 | 0SY | 0.8844 |
182 | 7FU | 0.8842 |
183 | 6JO | 0.8841 |
184 | 7EL | 0.8840 |
185 | SDN | 0.8840 |
186 | 7G2 | 0.8838 |
187 | 8M5 | 0.8836 |
188 | A63 | 0.8834 |
189 | MPU | 0.8833 |
190 | NPS | 0.8831 |
191 | NIF | 0.8829 |
192 | COL | 0.8828 |
193 | LR8 | 0.8827 |
194 | E9L | 0.8827 |
195 | 26C | 0.8823 |
196 | FXE | 0.8820 |
197 | CHQ | 0.8819 |
198 | SQM | 0.8818 |
199 | DBE | 0.8815 |
200 | MR4 | 0.8812 |
201 | 5NN | 0.8811 |
202 | EAE | 0.8811 |
203 | 5E5 | 0.8810 |
204 | 135 | 0.8809 |
205 | 08C | 0.8808 |
206 | CZ0 | 0.8808 |
207 | H2W | 0.8807 |
208 | 2JX | 0.8806 |
209 | KW7 | 0.8806 |
210 | VT3 | 0.8804 |
211 | A5Q | 0.8800 |
212 | HNT | 0.8799 |
213 | 4GU | 0.8799 |
214 | 1UZ | 0.8798 |
215 | AJ1 | 0.8796 |
216 | B61 | 0.8795 |
217 | 27M | 0.8795 |
218 | MR5 | 0.8795 |
219 | CDJ | 0.8795 |
220 | OAL | 0.8792 |
221 | Z25 | 0.8788 |
222 | DDC | 0.8786 |
223 | RF2 | 0.8784 |
224 | ESJ | 0.8784 |
225 | 609 | 0.8780 |
226 | ZRK | 0.8778 |
227 | BIH | 0.8776 |
228 | H2B | 0.8775 |
229 | HBI | 0.8775 |
230 | 5WK | 0.8773 |
231 | 245 | 0.8772 |
232 | 6JM | 0.8772 |
233 | W8L | 0.8772 |
234 | 9TF | 0.8771 |
235 | DXK | 0.8765 |
236 | M83 | 0.8763 |
237 | 4AB | 0.8761 |
238 | LU2 | 0.8759 |
239 | 1WO | 0.8759 |
240 | AVX | 0.8759 |
241 | BGU | 0.8757 |
242 | ADL | 0.8756 |
243 | UAY | 0.8756 |
244 | SAU | 0.8754 |
245 | A5H | 0.8752 |
246 | 7AP | 0.8751 |
247 | A6W | 0.8750 |
248 | H52 | 0.8750 |
249 | FQX | 0.8750 |
250 | PQM | 0.8747 |
251 | AJG | 0.8746 |
252 | BBY | 0.8743 |
253 | 9JT | 0.8741 |
254 | 3VS | 0.8741 |
255 | 1FE | 0.8738 |
256 | 0K7 | 0.8737 |
257 | 68C | 0.8737 |
258 | 1V0 | 0.8736 |
259 | HHS | 0.8732 |
260 | W23 | 0.8729 |
261 | 6EL | 0.8729 |
262 | EF2 | 0.8727 |
263 | 802 | 0.8727 |
264 | ZRL | 0.8727 |
265 | B21 | 0.8726 |
266 | NOG | 0.8726 |
267 | 1CA | 0.8724 |
268 | GAL FUC | 0.8722 |
269 | KU1 | 0.8721 |
270 | 3GX | 0.8719 |
271 | 91F | 0.8718 |
272 | AUG | 0.8716 |
273 | 68B | 0.8716 |
274 | 9KZ | 0.8715 |
275 | 5TY | 0.8715 |
276 | WCU | 0.8712 |
277 | JMG | 0.8710 |
278 | 6TJ | 0.8710 |
279 | 657 | 0.8710 |
280 | 3AK | 0.8709 |
281 | RFZ | 0.8708 |
282 | S60 | 0.8708 |
283 | EI1 | 0.8705 |
284 | 907 | 0.8705 |
285 | AUE | 0.8704 |
286 | F18 | 0.8701 |
287 | JCZ | 0.8700 |
288 | DRG | 0.8699 |
289 | BHS | 0.8699 |
290 | NOM | 0.8698 |
291 | EZL | 0.8697 |
292 | TXQ | 0.8696 |
293 | XCG | 0.8694 |
294 | 5WW | 0.8693 |
295 | QUE | 0.8691 |
296 | JGB | 0.8691 |
297 | DEH | 0.8690 |
298 | 1R5 | 0.8687 |
299 | NAR | 0.8687 |
300 | YE7 | 0.8685 |
301 | 334 | 0.8685 |
302 | M78 | 0.8684 |
303 | CNI | 0.8683 |
304 | ITE | 0.8678 |
305 | KMP | 0.8678 |
306 | 797 | 0.8678 |
307 | 5TT | 0.8676 |
308 | SNJ | 0.8676 |
309 | 6WR | 0.8676 |
310 | CTN | 0.8675 |
311 | LR2 | 0.8675 |
312 | T98 | 0.8674 |
313 | Y3L | 0.8671 |
314 | IIH | 0.8669 |
315 | 72E | 0.8668 |
316 | 338 | 0.8666 |
317 | PDN | 0.8665 |
318 | UN9 | 0.8665 |
319 | WS6 | 0.8662 |
320 | O9Z | 0.8661 |
321 | 47V | 0.8661 |
322 | JAH | 0.8661 |
323 | 0MB | 0.8660 |
324 | MQR | 0.8659 |
325 | E3U | 0.8658 |
326 | 5V7 | 0.8656 |
327 | TID | 0.8656 |
328 | FNT | 0.8653 |
329 | FHV | 0.8651 |
330 | 97K | 0.8651 |
331 | 1UR | 0.8650 |
332 | ETC | 0.8649 |
333 | 78Y | 0.8648 |
334 | WA1 | 0.8647 |
335 | 1CE | 0.8647 |
336 | 1AJ | 0.8647 |
337 | LC1 | 0.8646 |
338 | CX5 | 0.8643 |
339 | 041 | 0.8643 |
340 | A64 | 0.8643 |
341 | CWE | 0.8641 |
342 | JBZ | 0.8640 |
343 | 697 | 0.8637 |
344 | U13 | 0.8636 |
345 | 8D6 | 0.8635 |
346 | QIV | 0.8635 |
347 | J84 | 0.8633 |
348 | J38 | 0.8630 |
349 | 15Q | 0.8630 |
350 | 196 | 0.8629 |
351 | BA5 | 0.8629 |
352 | RDT | 0.8628 |
353 | G1L | 0.8627 |
354 | 4HG | 0.8627 |
355 | 1OT | 0.8626 |
356 | WSD | 0.8619 |
357 | PJK | 0.8615 |
358 | HWB | 0.8614 |
359 | CU8 | 0.8613 |
360 | GNJ | 0.8613 |
361 | 1EB | 0.8613 |
362 | B52 | 0.8608 |
363 | L1T | 0.8607 |
364 | Z3R | 0.8603 |
365 | 1Q2 | 0.8603 |
366 | 90G | 0.8601 |
367 | 2K8 | 0.8601 |
368 | Y70 | 0.8597 |
369 | 72D | 0.8596 |
370 | TFX | 0.8596 |
371 | SJK | 0.8596 |
372 | E3X | 0.8595 |
373 | MRE | 0.8594 |
374 | B2E | 0.8591 |
375 | B7H | 0.8589 |
376 | BSU | 0.8589 |
377 | Q9T | 0.8586 |
378 | TRU | 0.8578 |
379 | 1UT | 0.8576 |
380 | MJW | 0.8571 |
381 | FT2 | 0.8570 |
382 | MR6 | 0.8569 |
383 | NYJ | 0.8565 |
384 | 4P9 | 0.8564 |
385 | 6P3 | 0.8561 |
386 | TYP | 0.8560 |
387 | 5XM | 0.8557 |
388 | A26 | 0.8556 |
389 | Q7U | 0.8554 |
390 | NE1 | 0.8553 |
391 | PMP | 0.8552 |
392 | 363 | 0.8550 |
393 | QBP | 0.8550 |
394 | 4FC | 0.8549 |
395 | KN1 | 0.8548 |
396 | O53 | 0.8546 |
397 | 9Y8 | 0.8543 |
398 | 2AN | 0.8537 |
399 | B98 | 0.8533 |
400 | 52F | 0.8533 |
401 | BJ4 | 0.8522 |
402 | BGC BGC | 0.8513 |
403 | KMY | 0.8510 |